USER MOD reduce.3.24.130724 H: found=0, std=0, add=824, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 825 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 939 SER OG : rot 39:sc= 1.18 USER MOD Set 1.2: A1018 HIS : no HD1:sc= 1.09 K(o=2.3,f=-5.1!) USER MOD Set 2.1: A 937 ASN : amide:sc= -2.65! C(o=-2.6!,f=-7.8!) USER MOD Set 2.2: A 954 THR OG1 : rot 110:sc= 0.0319 USER MOD Set 3.1: A 936 GLN : amide:sc= -0.258 K(o=0.3,f=-1.9!) USER MOD Set 3.2: A 953 TYR OH : rot 55:sc= 0.554 USER MOD Single : A 927 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 928 THR OG1 : rot 180:sc= 0 USER MOD Single : A 931 THR OG1 : rot 180:sc= 0 USER MOD Single : A 935 TYR OH : rot 180:sc= 0.0121 USER MOD Single : A 941 TYR OH : rot 180:sc= 0 USER MOD Single : A 947 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 952 THR OG1 : rot 180:sc= 0 USER MOD Single : A 957 ASN : amide:sc= 1.14 K(o=1.1,f=0) USER MOD Single : A 960 LYS NZ :NH3+ -175:sc= 0.392 (180deg=0.377) USER MOD Single : A 963 SER OG : rot -86:sc= 0.417 USER MOD Single : A 965 SER OG : rot 180:sc= 0 USER MOD Single : A 968 THR OG1 : rot 180:sc= 0 USER MOD Single : A 969 CYS SG : rot 30:sc= 0.0333 USER MOD Single : A 981 SER OG : rot 180:sc= 0 USER MOD Single : A 982 TYR OH : rot 180:sc= 0 USER MOD Single : A 985 ASN : amide:sc= -0.458 X(o=-0.46,f=-0.69) USER MOD Single : A 991 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 995 TYR OH : rot 180:sc= -0.0221 USER MOD Single : A 998 THR OG1 : rot 180:sc= 0 USER MOD Single : A1003 HIS : no HD1:sc= -0.597 X(o=-0.6,f=-0.27) USER MOD Single : A1004 LYS NZ :NH3+ -173:sc= 2.17 (180deg=2.01) USER MOD Single : A1006 LYS NZ :NH3+ 177:sc= 1.26 (180deg=1.05) USER MOD Single : A1007 SER OG : rot 180:sc= 0 USER MOD Single : A1013 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1014 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A1015 TYR OH : rot 180:sc= 0 USER MOD Single : A1016 HIS :FLIP no HD1:sc= -7.25! C(o=-10!,f=-7.3!) USER MOD Single : A1017 THR OG1 : rot -100:sc= -0.379 USER MOD Single : A1026 LYS NZ :NH3+ -169:sc= -0.0455 (180deg=-0.178) USER MOD Single : A1028 LYS NZ :NH3+ 159:sc= 1.25 (180deg=1.08) USER MOD Single : A1029 LYS NZ :NH3+ 180:sc= -0.0773 (180deg=-0.0773) USER MOD Single : A1032 THR OG1 : rot -40:sc= 0.479 USER MOD Single : A1033 GLN : amide:sc= -1.06! C(o=-1.1!,f=-4.3!) USER MOD ----------------------------------------------------------------- ATOM 121 N HIS A 927 -1.318 -18.257 13.233 1.00 0.00 N ATOM 122 CA HIS A 927 -1.165 -18.383 11.795 1.00 0.00 C ATOM 123 C HIS A 927 0.048 -17.655 11.300 1.00 0.00 C ATOM 124 O HIS A 927 0.631 -18.067 10.293 1.00 0.00 O ATOM 125 CB HIS A 927 -2.342 -17.781 11.036 1.00 0.00 C ATOM 126 CG HIS A 927 -3.679 -18.235 11.529 1.00 0.00 C ATOM 127 ND1 HIS A 927 -4.093 -19.545 11.509 1.00 0.00 N ATOM 128 CD2 HIS A 927 -4.664 -17.540 12.136 1.00 0.00 C ATOM 129 CE1 HIS A 927 -5.268 -19.641 12.088 1.00 0.00 C ATOM 130 NE2 HIS A 927 -5.645 -18.439 12.478 1.00 0.00 N ATOM 0 HA HIS A 927 -1.089 -19.455 11.615 1.00 0.00 H new ATOM 0 HB2 HIS A 927 -2.290 -16.695 11.107 1.00 0.00 H new ATOM 0 HB3 HIS A 927 -2.249 -18.036 9.980 1.00 0.00 H new ATOM 0 HD2 HIS A 927 -4.678 -16.476 12.319 1.00 0.00 H new ATOM 0 HE1 HIS A 927 -5.832 -20.552 12.222 1.00 0.00 H new ATOM 0 HE2 HIS A 927 -6.519 -18.214 12.954 1.00 0.00 H new ATOM 139 N THR A 928 0.403 -16.559 11.966 1.00 0.00 N ATOM 140 CA THR A 928 1.366 -15.611 11.473 1.00 0.00 C ATOM 141 C THR A 928 0.864 -15.041 10.178 1.00 0.00 C ATOM 142 O THR A 928 1.132 -15.549 9.102 1.00 0.00 O ATOM 143 CB THR A 928 2.758 -16.168 11.242 1.00 0.00 C ATOM 144 OG1 THR A 928 3.114 -17.084 12.290 1.00 0.00 O ATOM 145 CG2 THR A 928 3.779 -15.038 11.197 1.00 0.00 C ATOM 0 H THR A 928 0.016 -16.312 12.877 1.00 0.00 H new ATOM 0 HA THR A 928 1.466 -14.859 12.255 1.00 0.00 H new ATOM 0 HB THR A 928 2.758 -16.695 10.288 1.00 0.00 H new ATOM 0 HG1 THR A 928 4.014 -17.436 12.125 1.00 0.00 H new ATOM 0 HG21 THR A 928 4.773 -15.452 11.031 1.00 0.00 H new ATOM 0 HG22 THR A 928 3.530 -14.355 10.385 1.00 0.00 H new ATOM 0 HG23 THR A 928 3.765 -14.497 12.143 1.00 0.00 H new ATOM 153 N GLU A 929 0.069 -14.041 10.290 1.00 0.00 N ATOM 154 CA GLU A 929 -0.445 -13.389 9.143 1.00 0.00 C ATOM 155 C GLU A 929 0.317 -12.085 9.024 1.00 0.00 C ATOM 156 O GLU A 929 0.978 -11.666 9.974 1.00 0.00 O ATOM 157 CB GLU A 929 -1.956 -13.161 9.267 1.00 0.00 C ATOM 158 CG GLU A 929 -2.333 -12.324 10.442 1.00 0.00 C ATOM 159 CD GLU A 929 -2.328 -13.072 11.753 1.00 0.00 C ATOM 160 OE1 GLU A 929 -3.340 -13.729 12.062 1.00 0.00 O ATOM 161 OE2 GLU A 929 -1.315 -12.997 12.489 1.00 0.00 O ATOM 0 H GLU A 929 -0.244 -13.651 11.179 1.00 0.00 H new ATOM 0 HA GLU A 929 -0.313 -13.995 8.247 1.00 0.00 H new ATOM 0 HB2 GLU A 929 -2.320 -12.683 8.358 1.00 0.00 H new ATOM 0 HB3 GLU A 929 -2.457 -14.126 9.342 1.00 0.00 H new ATOM 0 HG2 GLU A 929 -1.644 -11.483 10.512 1.00 0.00 H new ATOM 0 HG3 GLU A 929 -3.327 -11.909 10.276 1.00 0.00 H new ATOM 168 N PHE A 930 0.226 -11.440 7.902 1.00 0.00 N ATOM 169 CA PHE A 930 0.952 -10.199 7.673 1.00 0.00 C ATOM 170 C PHE A 930 0.148 -9.306 6.742 1.00 0.00 C ATOM 171 O PHE A 930 -0.254 -9.753 5.677 1.00 0.00 O ATOM 172 CB PHE A 930 2.331 -10.510 7.066 1.00 0.00 C ATOM 173 CG PHE A 930 3.146 -9.302 6.679 1.00 0.00 C ATOM 174 CD1 PHE A 930 3.711 -8.488 7.644 1.00 0.00 C ATOM 175 CD2 PHE A 930 3.347 -8.991 5.343 1.00 0.00 C ATOM 176 CE1 PHE A 930 4.461 -7.385 7.287 1.00 0.00 C ATOM 177 CE2 PHE A 930 4.097 -7.888 4.980 1.00 0.00 C ATOM 178 CZ PHE A 930 4.655 -7.084 5.953 1.00 0.00 C ATOM 0 H PHE A 930 -0.346 -11.745 7.115 1.00 0.00 H new ATOM 0 HA PHE A 930 1.098 -9.679 8.620 1.00 0.00 H new ATOM 0 HB2 PHE A 930 2.902 -11.100 7.783 1.00 0.00 H new ATOM 0 HB3 PHE A 930 2.190 -11.132 6.182 1.00 0.00 H new ATOM 0 HD1 PHE A 930 3.564 -8.718 8.689 1.00 0.00 H new ATOM 0 HD2 PHE A 930 2.913 -9.617 4.578 1.00 0.00 H new ATOM 0 HE1 PHE A 930 4.896 -6.758 8.051 1.00 0.00 H new ATOM 0 HE2 PHE A 930 4.246 -7.656 3.936 1.00 0.00 H new ATOM 0 HZ PHE A 930 5.242 -6.222 5.672 1.00 0.00 H new ATOM 188 N THR A 931 -0.161 -8.095 7.159 1.00 0.00 N ATOM 189 CA THR A 931 -0.803 -7.161 6.256 1.00 0.00 C ATOM 190 C THR A 931 0.252 -6.639 5.298 1.00 0.00 C ATOM 191 O THR A 931 1.199 -5.959 5.710 1.00 0.00 O ATOM 192 CB THR A 931 -1.454 -5.956 6.979 1.00 0.00 C ATOM 193 OG1 THR A 931 -2.287 -6.415 8.063 1.00 0.00 O ATOM 194 CG2 THR A 931 -2.297 -5.128 5.992 1.00 0.00 C ATOM 0 H THR A 931 0.017 -7.739 8.098 1.00 0.00 H new ATOM 0 HA THR A 931 -1.604 -7.694 5.744 1.00 0.00 H new ATOM 0 HB THR A 931 -0.660 -5.327 7.380 1.00 0.00 H new ATOM 0 HG1 THR A 931 -2.692 -5.644 8.514 1.00 0.00 H new ATOM 0 HG21 THR A 931 -2.747 -4.285 6.516 1.00 0.00 H new ATOM 0 HG22 THR A 931 -1.659 -4.757 5.190 1.00 0.00 H new ATOM 0 HG23 THR A 931 -3.083 -5.755 5.570 1.00 0.00 H new ATOM 202 N ASP A 932 0.099 -6.961 4.035 1.00 0.00 N ATOM 203 CA ASP A 932 1.044 -6.486 3.049 1.00 0.00 C ATOM 204 C ASP A 932 0.442 -5.199 2.500 1.00 0.00 C ATOM 205 O ASP A 932 -0.765 -4.968 2.676 1.00 0.00 O ATOM 206 CB ASP A 932 1.283 -7.523 1.942 1.00 0.00 C ATOM 207 CG ASP A 932 2.649 -7.374 1.294 1.00 0.00 C ATOM 208 OD1 ASP A 932 2.983 -6.283 0.793 1.00 0.00 O ATOM 209 OD2 ASP A 932 3.421 -8.361 1.279 1.00 0.00 O ATOM 0 H ASP A 932 -0.657 -7.540 3.669 1.00 0.00 H new ATOM 0 HA ASP A 932 2.026 -6.311 3.488 1.00 0.00 H new ATOM 0 HB2 ASP A 932 1.190 -8.525 2.360 1.00 0.00 H new ATOM 0 HB3 ASP A 932 0.510 -7.422 1.180 1.00 0.00 H new ATOM 214 N GLU A 933 1.217 -4.376 1.836 1.00 0.00 N ATOM 215 CA GLU A 933 0.751 -3.054 1.459 1.00 0.00 C ATOM 216 C GLU A 933 1.626 -2.479 0.348 1.00 0.00 C ATOM 217 O GLU A 933 2.823 -2.787 0.267 1.00 0.00 O ATOM 218 CB GLU A 933 0.781 -2.140 2.689 1.00 0.00 C ATOM 219 CG GLU A 933 2.181 -1.745 3.138 1.00 0.00 C ATOM 220 CD GLU A 933 2.196 -0.911 4.392 1.00 0.00 C ATOM 221 OE1 GLU A 933 2.238 -1.495 5.494 1.00 0.00 O ATOM 222 OE2 GLU A 933 2.201 0.334 4.296 1.00 0.00 O ATOM 0 H GLU A 933 2.170 -4.592 1.544 1.00 0.00 H new ATOM 0 HA GLU A 933 -0.270 -3.124 1.085 1.00 0.00 H new ATOM 0 HB2 GLU A 933 0.213 -1.236 2.470 1.00 0.00 H new ATOM 0 HB3 GLU A 933 0.275 -2.642 3.514 1.00 0.00 H new ATOM 0 HG2 GLU A 933 2.769 -2.648 3.304 1.00 0.00 H new ATOM 0 HG3 GLU A 933 2.668 -1.190 2.336 1.00 0.00 H new ATOM 229 N VAL A 934 1.023 -1.714 -0.539 1.00 0.00 N ATOM 230 CA VAL A 934 1.776 -0.965 -1.555 1.00 0.00 C ATOM 231 C VAL A 934 1.001 0.244 -2.037 1.00 0.00 C ATOM 232 O VAL A 934 -0.159 0.151 -2.418 1.00 0.00 O ATOM 233 CB VAL A 934 2.217 -1.836 -2.753 1.00 0.00 C ATOM 234 CG1 VAL A 934 1.041 -2.557 -3.399 1.00 0.00 C ATOM 235 CG2 VAL A 934 2.976 -1.019 -3.792 1.00 0.00 C ATOM 0 H VAL A 934 0.012 -1.587 -0.586 1.00 0.00 H new ATOM 0 HA VAL A 934 2.686 -0.626 -1.060 1.00 0.00 H new ATOM 0 HB VAL A 934 2.893 -2.592 -2.354 1.00 0.00 H new ATOM 0 HG11 VAL A 934 1.398 -3.157 -4.236 1.00 0.00 H new ATOM 0 HG12 VAL A 934 0.564 -3.206 -2.664 1.00 0.00 H new ATOM 0 HG13 VAL A 934 0.319 -1.825 -3.759 1.00 0.00 H new ATOM 0 HG21 VAL A 934 3.270 -1.665 -4.619 1.00 0.00 H new ATOM 0 HG22 VAL A 934 2.335 -0.220 -4.165 1.00 0.00 H new ATOM 0 HG23 VAL A 934 3.866 -0.587 -3.335 1.00 0.00 H new ATOM 245 N TYR A 935 1.641 1.384 -2.006 1.00 0.00 N ATOM 246 CA TYR A 935 1.012 2.634 -2.353 1.00 0.00 C ATOM 247 C TYR A 935 1.143 2.972 -3.829 1.00 0.00 C ATOM 248 O TYR A 935 2.242 3.182 -4.336 1.00 0.00 O ATOM 249 CB TYR A 935 1.648 3.730 -1.529 1.00 0.00 C ATOM 250 CG TYR A 935 1.293 3.692 -0.058 1.00 0.00 C ATOM 251 CD1 TYR A 935 1.940 2.835 0.822 1.00 0.00 C ATOM 252 CD2 TYR A 935 0.304 4.520 0.449 1.00 0.00 C ATOM 253 CE1 TYR A 935 1.604 2.803 2.159 1.00 0.00 C ATOM 254 CE2 TYR A 935 -0.034 4.496 1.786 1.00 0.00 C ATOM 255 CZ TYR A 935 0.618 3.636 2.634 1.00 0.00 C ATOM 256 OH TYR A 935 0.270 3.595 3.963 1.00 0.00 O ATOM 0 H TYR A 935 2.621 1.473 -1.737 1.00 0.00 H new ATOM 0 HA TYR A 935 -0.054 2.543 -2.144 1.00 0.00 H new ATOM 0 HB2 TYR A 935 2.731 3.662 -1.631 1.00 0.00 H new ATOM 0 HB3 TYR A 935 1.349 4.695 -1.938 1.00 0.00 H new ATOM 0 HD1 TYR A 935 2.719 2.183 0.454 1.00 0.00 H new ATOM 0 HD2 TYR A 935 -0.212 5.197 -0.216 1.00 0.00 H new ATOM 0 HE1 TYR A 935 2.113 2.127 2.830 1.00 0.00 H new ATOM 0 HE2 TYR A 935 -0.807 5.150 2.163 1.00 0.00 H new ATOM 0 HH TYR A 935 -0.441 4.247 4.135 1.00 0.00 H new ATOM 266 N GLN A 936 0.019 2.972 -4.515 1.00 0.00 N ATOM 267 CA GLN A 936 -0.059 3.452 -5.886 1.00 0.00 C ATOM 268 C GLN A 936 -0.119 4.977 -5.897 1.00 0.00 C ATOM 269 O GLN A 936 -0.965 5.559 -5.226 1.00 0.00 O ATOM 270 CB GLN A 936 -1.328 2.920 -6.522 1.00 0.00 C ATOM 271 CG GLN A 936 -1.477 3.249 -7.991 1.00 0.00 C ATOM 272 CD GLN A 936 -2.887 3.006 -8.438 1.00 0.00 C ATOM 273 OE1 GLN A 936 -3.249 1.905 -8.832 1.00 0.00 O ATOM 274 NE2 GLN A 936 -3.699 4.036 -8.376 1.00 0.00 N ATOM 0 H GLN A 936 -0.870 2.639 -4.140 1.00 0.00 H new ATOM 0 HA GLN A 936 0.819 3.113 -6.436 1.00 0.00 H new ATOM 0 HB2 GLN A 936 -1.354 1.837 -6.400 1.00 0.00 H new ATOM 0 HB3 GLN A 936 -2.186 3.322 -5.983 1.00 0.00 H new ATOM 0 HG2 GLN A 936 -1.207 4.290 -8.167 1.00 0.00 H new ATOM 0 HG3 GLN A 936 -0.792 2.638 -8.579 1.00 0.00 H new ATOM 0 HE21 GLN A 936 -3.356 4.936 -8.041 1.00 0.00 H new ATOM 0 HE22 GLN A 936 -4.673 3.936 -8.663 1.00 0.00 H new ATOM 283 N ASN A 937 0.747 5.595 -6.677 1.00 0.00 N ATOM 284 CA ASN A 937 0.852 7.048 -6.772 1.00 0.00 C ATOM 285 C ASN A 937 0.537 7.500 -8.196 1.00 0.00 C ATOM 286 O ASN A 937 0.825 6.791 -9.162 1.00 0.00 O ATOM 287 CB ASN A 937 2.268 7.596 -6.448 1.00 0.00 C ATOM 288 CG ASN A 937 2.845 7.289 -5.072 1.00 0.00 C ATOM 289 OD1 ASN A 937 3.529 8.126 -4.470 1.00 0.00 O ATOM 290 ND2 ASN A 937 2.659 6.087 -4.583 1.00 0.00 N ATOM 0 H ASN A 937 1.409 5.099 -7.273 1.00 0.00 H new ATOM 0 HA ASN A 937 0.145 7.434 -6.037 1.00 0.00 H new ATOM 0 HB2 ASN A 937 2.958 7.207 -7.196 1.00 0.00 H new ATOM 0 HB3 ASN A 937 2.245 8.679 -6.569 1.00 0.00 H new ATOM 0 HD21 ASN A 937 3.081 5.828 -3.691 1.00 0.00 H new ATOM 0 HD22 ASN A 937 2.092 5.411 -5.094 1.00 0.00 H new ATOM 297 N GLU A 938 -0.062 8.666 -8.299 1.00 0.00 N ATOM 298 CA GLU A 938 -0.281 9.366 -9.564 1.00 0.00 C ATOM 299 C GLU A 938 0.238 10.780 -9.372 1.00 0.00 C ATOM 300 O GLU A 938 0.557 11.159 -8.232 1.00 0.00 O ATOM 301 CB GLU A 938 -1.764 9.385 -9.937 1.00 0.00 C ATOM 302 CG GLU A 938 -2.298 8.058 -10.448 1.00 0.00 C ATOM 303 CD GLU A 938 -3.773 8.120 -10.778 1.00 0.00 C ATOM 304 OE1 GLU A 938 -4.145 8.611 -11.867 1.00 0.00 O ATOM 305 OE2 GLU A 938 -4.593 7.688 -9.947 1.00 0.00 O ATOM 0 H GLU A 938 -0.422 9.173 -7.491 1.00 0.00 H new ATOM 0 HA GLU A 938 0.239 8.860 -10.377 1.00 0.00 H new ATOM 0 HB2 GLU A 938 -2.343 9.683 -9.063 1.00 0.00 H new ATOM 0 HB3 GLU A 938 -1.925 10.146 -10.701 1.00 0.00 H new ATOM 0 HG2 GLU A 938 -1.741 7.763 -11.338 1.00 0.00 H new ATOM 0 HG3 GLU A 938 -2.128 7.287 -9.696 1.00 0.00 H new ATOM 312 N SER A 939 0.301 11.576 -10.422 1.00 0.00 N ATOM 313 CA SER A 939 0.879 12.885 -10.315 1.00 0.00 C ATOM 314 C SER A 939 0.264 13.830 -11.344 1.00 0.00 C ATOM 315 O SER A 939 0.030 13.455 -12.492 1.00 0.00 O ATOM 316 CB SER A 939 2.404 12.800 -10.483 1.00 0.00 C ATOM 317 OG SER A 939 3.040 14.047 -10.262 1.00 0.00 O ATOM 0 H SER A 939 -0.042 11.333 -11.352 1.00 0.00 H new ATOM 0 HA SER A 939 0.664 13.287 -9.325 1.00 0.00 H new ATOM 0 HB2 SER A 939 2.803 12.063 -9.787 1.00 0.00 H new ATOM 0 HB3 SER A 939 2.638 12.449 -11.488 1.00 0.00 H new ATOM 0 HG SER A 939 2.599 14.512 -9.520 1.00 0.00 H new ATOM 323 N ARG A 940 -0.029 15.029 -10.882 1.00 0.00 N ATOM 324 CA ARG A 940 -0.548 16.109 -11.687 1.00 0.00 C ATOM 325 C ARG A 940 0.178 17.366 -11.289 1.00 0.00 C ATOM 326 O ARG A 940 0.774 17.411 -10.220 1.00 0.00 O ATOM 327 CB ARG A 940 -2.044 16.333 -11.458 1.00 0.00 C ATOM 328 CG ARG A 940 -2.438 16.752 -10.043 1.00 0.00 C ATOM 329 CD ARG A 940 -3.912 17.110 -9.983 1.00 0.00 C ATOM 330 NE ARG A 940 -4.330 17.657 -8.688 1.00 0.00 N ATOM 331 CZ ARG A 940 -5.567 17.534 -8.183 1.00 0.00 C ATOM 332 NH1 ARG A 940 -6.529 16.976 -8.900 1.00 0.00 N ATOM 333 NH2 ARG A 940 -5.856 18.002 -6.977 1.00 0.00 N ATOM 0 H ARG A 940 0.093 15.284 -9.902 1.00 0.00 H new ATOM 0 HA ARG A 940 -0.401 15.857 -12.737 1.00 0.00 H new ATOM 0 HB2 ARG A 940 -2.390 17.097 -12.154 1.00 0.00 H new ATOM 0 HB3 ARG A 940 -2.573 15.413 -11.706 1.00 0.00 H new ATOM 0 HG2 ARG A 940 -2.226 15.941 -9.346 1.00 0.00 H new ATOM 0 HG3 ARG A 940 -1.838 17.606 -9.730 1.00 0.00 H new ATOM 0 HD2 ARG A 940 -4.133 17.838 -10.764 1.00 0.00 H new ATOM 0 HD3 ARG A 940 -4.503 16.220 -10.200 1.00 0.00 H new ATOM 0 HE ARG A 940 -3.637 18.163 -8.137 1.00 0.00 H new ATOM 0 HH11 ARG A 940 -6.332 16.637 -9.842 1.00 0.00 H new ATOM 0 HH12 ARG A 940 -7.468 16.885 -8.511 1.00 0.00 H new ATOM 0 HH21 ARG A 940 -5.134 18.462 -6.422 1.00 0.00 H new ATOM 0 HH22 ARG A 940 -6.800 17.902 -6.604 1.00 0.00 H new ATOM 347 N TYR A 941 0.171 18.359 -12.140 1.00 0.00 N ATOM 348 CA TYR A 941 0.680 19.658 -11.753 1.00 0.00 C ATOM 349 C TYR A 941 -0.445 20.328 -10.985 1.00 0.00 C ATOM 350 O TYR A 941 -1.580 19.829 -11.035 1.00 0.00 O ATOM 351 CB TYR A 941 0.971 20.520 -12.981 1.00 0.00 C ATOM 352 CG TYR A 941 1.735 19.819 -14.078 1.00 0.00 C ATOM 353 CD1 TYR A 941 3.065 19.459 -13.910 1.00 0.00 C ATOM 354 CD2 TYR A 941 1.115 19.508 -15.281 1.00 0.00 C ATOM 355 CE1 TYR A 941 3.756 18.811 -14.913 1.00 0.00 C ATOM 356 CE2 TYR A 941 1.799 18.860 -16.286 1.00 0.00 C ATOM 357 CZ TYR A 941 3.117 18.517 -16.099 1.00 0.00 C ATOM 358 OH TYR A 941 3.800 17.868 -17.101 1.00 0.00 O ATOM 0 H TYR A 941 -0.177 18.299 -13.097 1.00 0.00 H new ATOM 0 HA TYR A 941 1.599 19.548 -11.178 1.00 0.00 H new ATOM 0 HB2 TYR A 941 0.026 20.879 -13.388 1.00 0.00 H new ATOM 0 HB3 TYR A 941 1.537 21.397 -12.666 1.00 0.00 H new ATOM 0 HD1 TYR A 941 3.566 19.689 -12.981 1.00 0.00 H new ATOM 0 HD2 TYR A 941 0.080 19.778 -15.431 1.00 0.00 H new ATOM 0 HE1 TYR A 941 4.791 18.536 -14.770 1.00 0.00 H new ATOM 0 HE2 TYR A 941 1.303 18.623 -17.215 1.00 0.00 H new ATOM 0 HH TYR A 941 3.206 17.735 -17.869 1.00 0.00 H new ATOM 368 N PRO A 942 -0.197 21.432 -10.272 1.00 0.00 N ATOM 369 CA PRO A 942 -1.283 22.206 -9.698 1.00 0.00 C ATOM 370 C PRO A 942 -2.052 22.891 -10.822 1.00 0.00 C ATOM 371 O PRO A 942 -1.723 24.003 -11.231 1.00 0.00 O ATOM 372 CB PRO A 942 -0.589 23.238 -8.806 1.00 0.00 C ATOM 373 CG PRO A 942 0.827 22.775 -8.682 1.00 0.00 C ATOM 374 CD PRO A 942 1.119 21.993 -9.930 1.00 0.00 C ATOM 0 HA PRO A 942 -1.996 21.602 -9.136 1.00 0.00 H new ATOM 0 HB2 PRO A 942 -0.639 24.234 -9.247 1.00 0.00 H new ATOM 0 HB3 PRO A 942 -1.069 23.298 -7.829 1.00 0.00 H new ATOM 0 HG2 PRO A 942 1.507 23.621 -8.584 1.00 0.00 H new ATOM 0 HG3 PRO A 942 0.959 22.156 -7.794 1.00 0.00 H new ATOM 0 HD2 PRO A 942 1.508 22.629 -10.725 1.00 0.00 H new ATOM 0 HD3 PRO A 942 1.860 21.212 -9.755 1.00 0.00 H new ATOM 382 N GLY A 943 -3.013 22.178 -11.373 1.00 0.00 N ATOM 383 CA GLY A 943 -3.730 22.627 -12.533 1.00 0.00 C ATOM 384 C GLY A 943 -3.768 21.533 -13.595 1.00 0.00 C ATOM 385 O GLY A 943 -4.206 21.769 -14.718 1.00 0.00 O ATOM 0 H GLY A 943 -3.314 21.269 -11.022 1.00 0.00 H new ATOM 0 HA2 GLY A 943 -4.746 22.906 -12.254 1.00 0.00 H new ATOM 0 HA3 GLY A 943 -3.254 23.520 -12.939 1.00 0.00 H new ATOM 389 N GLY A 944 -3.311 20.325 -13.248 1.00 0.00 N ATOM 390 CA GLY A 944 -3.319 19.236 -14.209 1.00 0.00 C ATOM 391 C GLY A 944 -4.207 18.135 -13.702 1.00 0.00 C ATOM 392 O GLY A 944 -4.815 18.303 -12.645 1.00 0.00 O ATOM 0 H GLY A 944 -2.940 20.087 -12.328 1.00 0.00 H new ATOM 0 HA2 GLY A 944 -3.676 19.591 -15.176 1.00 0.00 H new ATOM 0 HA3 GLY A 944 -2.307 18.862 -14.361 1.00 0.00 H new ATOM 396 N ASP A 945 -4.354 17.031 -14.411 1.00 0.00 N ATOM 397 CA ASP A 945 -5.075 15.894 -13.870 1.00 0.00 C ATOM 398 C ASP A 945 -4.059 14.787 -13.651 1.00 0.00 C ATOM 399 O ASP A 945 -2.983 14.828 -14.255 1.00 0.00 O ATOM 400 CB ASP A 945 -6.179 15.458 -14.844 1.00 0.00 C ATOM 401 CG ASP A 945 -6.953 14.246 -14.373 1.00 0.00 C ATOM 402 OD1 ASP A 945 -7.390 14.223 -13.206 1.00 0.00 O ATOM 403 OD2 ASP A 945 -7.129 13.291 -15.161 1.00 0.00 O ATOM 0 H ASP A 945 -3.988 16.898 -15.354 1.00 0.00 H new ATOM 0 HA ASP A 945 -5.563 16.144 -12.928 1.00 0.00 H new ATOM 0 HB2 ASP A 945 -6.871 16.287 -14.991 1.00 0.00 H new ATOM 0 HB3 ASP A 945 -5.732 15.240 -15.814 1.00 0.00 H new ATOM 408 N TRP A 946 -4.349 13.833 -12.791 1.00 0.00 N ATOM 409 CA TRP A 946 -3.396 12.818 -12.447 1.00 0.00 C ATOM 410 C TRP A 946 -3.117 11.916 -13.635 1.00 0.00 C ATOM 411 O TRP A 946 -4.025 11.522 -14.369 1.00 0.00 O ATOM 412 CB TRP A 946 -3.920 11.975 -11.295 1.00 0.00 C ATOM 413 CG TRP A 946 -4.487 12.751 -10.175 1.00 0.00 C ATOM 414 CD1 TRP A 946 -5.792 13.047 -9.953 1.00 0.00 C ATOM 415 CD2 TRP A 946 -3.751 13.317 -9.108 1.00 0.00 C ATOM 416 NE1 TRP A 946 -5.902 13.774 -8.807 1.00 0.00 N ATOM 417 CE2 TRP A 946 -4.667 13.950 -8.264 1.00 0.00 C ATOM 418 CE3 TRP A 946 -2.402 13.347 -8.792 1.00 0.00 C ATOM 419 CZ2 TRP A 946 -4.276 14.612 -7.111 1.00 0.00 C ATOM 420 CZ3 TRP A 946 -2.014 14.004 -7.656 1.00 0.00 C ATOM 421 CH2 TRP A 946 -2.945 14.627 -6.827 1.00 0.00 C ATOM 0 H TRP A 946 -5.248 13.746 -12.317 1.00 0.00 H new ATOM 0 HA TRP A 946 -2.471 13.312 -12.150 1.00 0.00 H new ATOM 0 HB2 TRP A 946 -4.685 11.299 -11.676 1.00 0.00 H new ATOM 0 HB3 TRP A 946 -3.107 11.356 -10.916 1.00 0.00 H new ATOM 0 HD1 TRP A 946 -6.615 12.752 -10.586 1.00 0.00 H new ATOM 0 HE1 TRP A 946 -6.774 14.131 -8.417 1.00 0.00 H new ATOM 0 HE3 TRP A 946 -1.674 12.863 -9.427 1.00 0.00 H new ATOM 0 HZ2 TRP A 946 -4.996 15.095 -6.466 1.00 0.00 H new ATOM 0 HZ3 TRP A 946 -0.966 14.040 -7.397 1.00 0.00 H new ATOM 0 HH2 TRP A 946 -2.602 15.134 -5.937 1.00 0.00 H new ATOM 432 N LYS A 947 -1.866 11.592 -13.790 1.00 0.00 N ATOM 433 CA LYS A 947 -1.377 10.656 -14.770 1.00 0.00 C ATOM 434 C LYS A 947 -0.525 9.735 -13.908 1.00 0.00 C ATOM 435 O LYS A 947 -0.474 9.995 -12.710 1.00 0.00 O ATOM 436 CB LYS A 947 -0.525 11.354 -15.846 1.00 0.00 C ATOM 437 CG LYS A 947 -1.259 12.375 -16.707 1.00 0.00 C ATOM 438 CD LYS A 947 -0.386 12.784 -17.883 1.00 0.00 C ATOM 439 CE LYS A 947 -1.056 13.800 -18.793 1.00 0.00 C ATOM 440 NZ LYS A 947 -0.269 14.008 -20.035 1.00 0.00 N ATOM 0 H LYS A 947 -1.124 11.988 -13.213 1.00 0.00 H new ATOM 0 HA LYS A 947 -2.165 10.149 -15.328 1.00 0.00 H new ATOM 0 HB2 LYS A 947 0.311 11.853 -15.355 1.00 0.00 H new ATOM 0 HB3 LYS A 947 -0.101 10.592 -16.500 1.00 0.00 H new ATOM 0 HG2 LYS A 947 -2.196 11.952 -17.069 1.00 0.00 H new ATOM 0 HG3 LYS A 947 -1.514 13.251 -16.110 1.00 0.00 H new ATOM 0 HD2 LYS A 947 0.548 13.201 -17.507 1.00 0.00 H new ATOM 0 HD3 LYS A 947 -0.129 11.898 -18.463 1.00 0.00 H new ATOM 0 HE2 LYS A 947 -2.059 13.458 -19.048 1.00 0.00 H new ATOM 0 HE3 LYS A 947 -1.166 14.748 -18.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 947 -0.749 14.706 -20.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 947 0.680 14.356 -19.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 947 -0.186 13.107 -20.548 1.00 0.00 H new ATOM 454 N PRO A 948 0.136 8.678 -14.395 1.00 0.00 N ATOM 455 CA PRO A 948 0.979 7.869 -13.517 1.00 0.00 C ATOM 456 C PRO A 948 2.111 8.699 -12.910 1.00 0.00 C ATOM 457 O PRO A 948 2.620 9.630 -13.538 1.00 0.00 O ATOM 458 CB PRO A 948 1.545 6.781 -14.434 1.00 0.00 C ATOM 459 CG PRO A 948 0.642 6.766 -15.617 1.00 0.00 C ATOM 460 CD PRO A 948 0.137 8.174 -15.770 1.00 0.00 C ATOM 0 HA PRO A 948 0.419 7.464 -12.674 1.00 0.00 H new ATOM 0 HB2 PRO A 948 2.572 7.004 -14.724 1.00 0.00 H new ATOM 0 HB3 PRO A 948 1.558 5.812 -13.935 1.00 0.00 H new ATOM 0 HG2 PRO A 948 1.175 6.443 -16.511 1.00 0.00 H new ATOM 0 HG3 PRO A 948 -0.183 6.069 -15.469 1.00 0.00 H new ATOM 0 HD2 PRO A 948 0.785 8.767 -16.416 1.00 0.00 H new ATOM 0 HD3 PRO A 948 -0.860 8.199 -16.209 1.00 0.00 H new ATOM 468 N ALA A 949 2.451 8.389 -11.669 1.00 0.00 N ATOM 469 CA ALA A 949 3.571 9.041 -10.989 1.00 0.00 C ATOM 470 C ALA A 949 4.900 8.666 -11.648 1.00 0.00 C ATOM 471 O ALA A 949 4.939 8.006 -12.687 1.00 0.00 O ATOM 472 CB ALA A 949 3.593 8.661 -9.519 1.00 0.00 C ATOM 0 H ALA A 949 1.969 7.688 -11.106 1.00 0.00 H new ATOM 0 HA ALA A 949 3.436 10.119 -11.072 1.00 0.00 H new ATOM 0 HB1 ALA A 949 4.432 9.154 -9.028 1.00 0.00 H new ATOM 0 HB2 ALA A 949 2.661 8.975 -9.048 1.00 0.00 H new ATOM 0 HB3 ALA A 949 3.701 7.581 -9.424 1.00 0.00 H new ATOM 478 N GLU A 950 5.986 9.028 -11.003 1.00 0.00 N ATOM 479 CA GLU A 950 7.302 8.765 -11.555 1.00 0.00 C ATOM 480 C GLU A 950 7.746 7.409 -11.041 1.00 0.00 C ATOM 481 O GLU A 950 8.380 6.621 -11.738 1.00 0.00 O ATOM 482 CB GLU A 950 8.306 9.890 -11.226 1.00 0.00 C ATOM 483 CG GLU A 950 8.615 10.132 -9.756 1.00 0.00 C ATOM 484 CD GLU A 950 7.408 10.462 -8.917 1.00 0.00 C ATOM 485 OE1 GLU A 950 6.844 11.556 -9.075 1.00 0.00 O ATOM 486 OE2 GLU A 950 7.008 9.623 -8.091 1.00 0.00 O ATOM 0 H GLU A 950 5.988 9.503 -10.100 1.00 0.00 H new ATOM 0 HA GLU A 950 7.259 8.746 -12.644 1.00 0.00 H new ATOM 0 HB2 GLU A 950 9.243 9.668 -11.737 1.00 0.00 H new ATOM 0 HB3 GLU A 950 7.924 10.819 -11.649 1.00 0.00 H new ATOM 0 HG2 GLU A 950 9.096 9.244 -9.347 1.00 0.00 H new ATOM 0 HG3 GLU A 950 9.333 10.949 -9.677 1.00 0.00 H new ATOM 493 N ASP A 951 7.362 7.146 -9.808 1.00 0.00 N ATOM 494 CA ASP A 951 7.470 5.840 -9.210 1.00 0.00 C ATOM 495 C ASP A 951 6.065 5.502 -8.782 1.00 0.00 C ATOM 496 O ASP A 951 5.576 6.042 -7.794 1.00 0.00 O ATOM 497 CB ASP A 951 8.420 5.808 -7.999 1.00 0.00 C ATOM 498 CG ASP A 951 9.861 6.130 -8.335 1.00 0.00 C ATOM 499 OD1 ASP A 951 10.573 5.266 -8.900 1.00 0.00 O ATOM 500 OD2 ASP A 951 10.327 7.253 -8.017 1.00 0.00 O ATOM 0 H ASP A 951 6.960 7.849 -9.187 1.00 0.00 H new ATOM 0 HA ASP A 951 7.891 5.126 -9.918 1.00 0.00 H new ATOM 0 HB2 ASP A 951 8.065 6.519 -7.253 1.00 0.00 H new ATOM 0 HB3 ASP A 951 8.377 4.819 -7.543 1.00 0.00 H new ATOM 505 N THR A 952 5.379 4.696 -9.573 1.00 0.00 N ATOM 506 CA THR A 952 3.975 4.433 -9.325 1.00 0.00 C ATOM 507 C THR A 952 3.760 3.602 -8.058 1.00 0.00 C ATOM 508 O THR A 952 3.089 4.045 -7.139 1.00 0.00 O ATOM 509 CB THR A 952 3.310 3.763 -10.542 1.00 0.00 C ATOM 510 OG1 THR A 952 3.578 4.537 -11.726 1.00 0.00 O ATOM 511 CG2 THR A 952 1.801 3.667 -10.349 1.00 0.00 C ATOM 0 H THR A 952 5.768 4.217 -10.385 1.00 0.00 H new ATOM 0 HA THR A 952 3.495 5.398 -9.163 1.00 0.00 H new ATOM 0 HB THR A 952 3.721 2.759 -10.646 1.00 0.00 H new ATOM 0 HG1 THR A 952 3.156 4.108 -12.500 1.00 0.00 H new ATOM 0 HG21 THR A 952 1.352 3.191 -11.221 1.00 0.00 H new ATOM 0 HG22 THR A 952 1.585 3.074 -9.460 1.00 0.00 H new ATOM 0 HG23 THR A 952 1.385 4.667 -10.228 1.00 0.00 H new ATOM 519 N TYR A 953 4.313 2.413 -7.987 1.00 0.00 N ATOM 520 CA TYR A 953 4.127 1.611 -6.799 1.00 0.00 C ATOM 521 C TYR A 953 5.311 1.795 -5.866 1.00 0.00 C ATOM 522 O TYR A 953 6.460 1.647 -6.273 1.00 0.00 O ATOM 523 CB TYR A 953 3.835 0.158 -7.170 1.00 0.00 C ATOM 524 CG TYR A 953 2.470 0.039 -7.823 1.00 0.00 C ATOM 525 CD1 TYR A 953 1.315 0.017 -7.050 1.00 0.00 C ATOM 526 CD2 TYR A 953 2.329 -0.010 -9.204 1.00 0.00 C ATOM 527 CE1 TYR A 953 0.063 -0.057 -7.633 1.00 0.00 C ATOM 528 CE2 TYR A 953 1.079 -0.088 -9.794 1.00 0.00 C ATOM 529 CZ TYR A 953 -0.050 -0.109 -9.004 1.00 0.00 C ATOM 530 OH TYR A 953 -1.296 -0.188 -9.589 1.00 0.00 O ATOM 0 H TYR A 953 4.882 1.987 -8.718 1.00 0.00 H new ATOM 0 HA TYR A 953 3.249 1.948 -6.248 1.00 0.00 H new ATOM 0 HB2 TYR A 953 4.603 -0.211 -7.850 1.00 0.00 H new ATOM 0 HB3 TYR A 953 3.873 -0.466 -6.277 1.00 0.00 H new ATOM 0 HD1 TYR A 953 1.397 0.058 -5.974 1.00 0.00 H new ATOM 0 HD2 TYR A 953 3.210 0.013 -9.828 1.00 0.00 H new ATOM 0 HE1 TYR A 953 -0.823 -0.074 -7.015 1.00 0.00 H new ATOM 0 HE2 TYR A 953 0.989 -0.132 -10.869 1.00 0.00 H new ATOM 0 HH TYR A 953 -1.851 0.558 -9.279 1.00 0.00 H new ATOM 540 N THR A 954 5.011 2.113 -4.619 1.00 0.00 N ATOM 541 CA THR A 954 5.997 2.567 -3.645 1.00 0.00 C ATOM 542 C THR A 954 5.616 2.147 -2.235 1.00 0.00 C ATOM 543 O THR A 954 4.596 1.486 -2.007 1.00 0.00 O ATOM 544 CB THR A 954 6.101 4.109 -3.667 1.00 0.00 C ATOM 545 OG1 THR A 954 4.791 4.673 -3.634 1.00 0.00 O ATOM 546 CG2 THR A 954 6.846 4.623 -4.889 1.00 0.00 C ATOM 0 H THR A 954 4.063 2.064 -4.246 1.00 0.00 H new ATOM 0 HA THR A 954 6.950 2.113 -3.917 1.00 0.00 H new ATOM 0 HB THR A 954 6.670 4.412 -2.788 1.00 0.00 H new ATOM 0 HG1 THR A 954 4.641 5.102 -2.766 1.00 0.00 H new ATOM 0 HG21 THR A 954 6.891 5.712 -4.856 1.00 0.00 H new ATOM 0 HG22 THR A 954 7.858 4.218 -4.895 1.00 0.00 H new ATOM 0 HG23 THR A 954 6.324 4.309 -5.793 1.00 0.00 H new ATOM 554 N ASP A 955 6.447 2.563 -1.310 1.00 0.00 N ATOM 555 CA ASP A 955 6.233 2.404 0.110 1.00 0.00 C ATOM 556 C ASP A 955 5.921 3.801 0.600 1.00 0.00 C ATOM 557 O ASP A 955 6.111 4.743 -0.173 1.00 0.00 O ATOM 558 CB ASP A 955 7.526 1.878 0.755 1.00 0.00 C ATOM 559 CG ASP A 955 7.493 1.795 2.269 1.00 0.00 C ATOM 560 OD1 ASP A 955 6.970 0.805 2.819 1.00 0.00 O ATOM 561 OD2 ASP A 955 8.046 2.702 2.939 1.00 0.00 O ATOM 0 H ASP A 955 7.322 3.038 -1.532 1.00 0.00 H new ATOM 0 HA ASP A 955 5.437 1.701 0.354 1.00 0.00 H new ATOM 0 HB2 ASP A 955 7.737 0.886 0.355 1.00 0.00 H new ATOM 0 HB3 ASP A 955 8.352 2.524 0.458 1.00 0.00 H new ATOM 566 N ALA A 956 5.450 3.964 1.826 1.00 0.00 N ATOM 567 CA ALA A 956 5.241 5.296 2.387 1.00 0.00 C ATOM 568 C ALA A 956 6.511 6.155 2.263 1.00 0.00 C ATOM 569 O ALA A 956 6.436 7.375 2.079 1.00 0.00 O ATOM 570 CB ALA A 956 4.808 5.192 3.839 1.00 0.00 C ATOM 0 H ALA A 956 5.205 3.197 2.452 1.00 0.00 H new ATOM 0 HA ALA A 956 4.450 5.785 1.818 1.00 0.00 H new ATOM 0 HB1 ALA A 956 4.655 6.192 4.246 1.00 0.00 H new ATOM 0 HB2 ALA A 956 3.877 4.629 3.902 1.00 0.00 H new ATOM 0 HB3 ALA A 956 5.581 4.681 4.413 1.00 0.00 H new ATOM 576 N ASN A 957 7.676 5.508 2.308 1.00 0.00 N ATOM 577 CA ASN A 957 8.955 6.203 2.150 1.00 0.00 C ATOM 578 C ASN A 957 9.287 6.531 0.690 1.00 0.00 C ATOM 579 O ASN A 957 10.271 7.210 0.425 1.00 0.00 O ATOM 580 CB ASN A 957 10.111 5.392 2.745 1.00 0.00 C ATOM 581 CG ASN A 957 10.086 5.307 4.257 1.00 0.00 C ATOM 582 OD1 ASN A 957 10.647 6.159 4.944 1.00 0.00 O ATOM 583 ND2 ASN A 957 9.444 4.290 4.790 1.00 0.00 N ATOM 0 H ASN A 957 7.761 4.502 2.453 1.00 0.00 H new ATOM 0 HA ASN A 957 8.839 7.141 2.692 1.00 0.00 H new ATOM 0 HB2 ASN A 957 10.084 4.383 2.334 1.00 0.00 H new ATOM 0 HB3 ASN A 957 11.055 5.839 2.431 1.00 0.00 H new ATOM 0 HD21 ASN A 957 9.400 4.189 5.804 1.00 0.00 H new ATOM 0 HD22 ASN A 957 8.990 3.602 4.189 1.00 0.00 H new ATOM 590 N GLY A 958 8.514 6.028 -0.266 1.00 0.00 N ATOM 591 CA GLY A 958 8.776 6.341 -1.659 1.00 0.00 C ATOM 592 C GLY A 958 9.614 5.291 -2.329 1.00 0.00 C ATOM 593 O GLY A 958 9.897 5.396 -3.521 1.00 0.00 O ATOM 0 H GLY A 958 7.716 5.414 -0.104 1.00 0.00 H new ATOM 0 HA2 GLY A 958 7.830 6.442 -2.191 1.00 0.00 H new ATOM 0 HA3 GLY A 958 9.283 7.304 -1.724 1.00 0.00 H new ATOM 597 N ASP A 959 10.057 4.320 -1.545 1.00 0.00 N ATOM 598 CA ASP A 959 10.808 3.191 -2.074 1.00 0.00 C ATOM 599 C ASP A 959 9.943 2.423 -3.048 1.00 0.00 C ATOM 600 O ASP A 959 9.006 1.728 -2.639 1.00 0.00 O ATOM 601 CB ASP A 959 11.296 2.248 -0.971 1.00 0.00 C ATOM 602 CG ASP A 959 12.290 2.883 -0.027 1.00 0.00 C ATOM 603 OD1 ASP A 959 13.478 3.019 -0.384 1.00 0.00 O ATOM 604 OD2 ASP A 959 11.899 3.256 1.099 1.00 0.00 O ATOM 0 H ASP A 959 9.909 4.291 -0.536 1.00 0.00 H new ATOM 0 HA ASP A 959 11.689 3.590 -2.578 1.00 0.00 H new ATOM 0 HB2 ASP A 959 10.437 1.897 -0.399 1.00 0.00 H new ATOM 0 HB3 ASP A 959 11.753 1.371 -1.430 1.00 0.00 H new ATOM 609 N LYS A 960 10.209 2.650 -4.327 1.00 0.00 N ATOM 610 CA LYS A 960 9.521 1.987 -5.428 1.00 0.00 C ATOM 611 C LYS A 960 9.534 0.485 -5.201 1.00 0.00 C ATOM 612 O LYS A 960 10.592 -0.129 -5.065 1.00 0.00 O ATOM 613 CB LYS A 960 10.189 2.369 -6.771 1.00 0.00 C ATOM 614 CG LYS A 960 9.466 1.916 -8.051 1.00 0.00 C ATOM 615 CD LYS A 960 9.586 0.423 -8.329 1.00 0.00 C ATOM 616 CE LYS A 960 8.766 0.006 -9.539 1.00 0.00 C ATOM 617 NZ LYS A 960 8.801 -1.464 -9.752 1.00 0.00 N ATOM 0 H LYS A 960 10.922 3.312 -4.635 1.00 0.00 H new ATOM 0 HA LYS A 960 8.482 2.314 -5.470 1.00 0.00 H new ATOM 0 HB2 LYS A 960 10.293 3.454 -6.804 1.00 0.00 H new ATOM 0 HB3 LYS A 960 11.196 1.952 -6.782 1.00 0.00 H new ATOM 0 HG2 LYS A 960 8.411 2.178 -7.973 1.00 0.00 H new ATOM 0 HG3 LYS A 960 9.870 2.468 -8.900 1.00 0.00 H new ATOM 0 HD2 LYS A 960 10.633 0.167 -8.494 1.00 0.00 H new ATOM 0 HD3 LYS A 960 9.254 -0.137 -7.455 1.00 0.00 H new ATOM 0 HE2 LYS A 960 7.733 0.329 -9.407 1.00 0.00 H new ATOM 0 HE3 LYS A 960 9.147 0.511 -10.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 960 8.301 -1.699 -10.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 960 9.789 -1.782 -9.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 960 8.337 -1.942 -8.953 1.00 0.00 H new ATOM 631 N ALA A 961 8.358 -0.092 -5.167 1.00 0.00 N ATOM 632 CA ALA A 961 8.212 -1.505 -4.919 1.00 0.00 C ATOM 633 C ALA A 961 7.564 -2.185 -6.111 1.00 0.00 C ATOM 634 O ALA A 961 7.381 -1.579 -7.169 1.00 0.00 O ATOM 635 CB ALA A 961 7.390 -1.730 -3.660 1.00 0.00 C ATOM 0 H ALA A 961 7.478 0.403 -5.310 1.00 0.00 H new ATOM 0 HA ALA A 961 9.199 -1.942 -4.772 1.00 0.00 H new ATOM 0 HB1 ALA A 961 7.285 -2.800 -3.481 1.00 0.00 H new ATOM 0 HB2 ALA A 961 7.892 -1.267 -2.810 1.00 0.00 H new ATOM 0 HB3 ALA A 961 6.403 -1.284 -3.785 1.00 0.00 H new ATOM 641 N ALA A 962 7.251 -3.449 -5.952 1.00 0.00 N ATOM 642 CA ALA A 962 6.582 -4.194 -6.990 1.00 0.00 C ATOM 643 C ALA A 962 5.100 -3.848 -6.973 1.00 0.00 C ATOM 644 O ALA A 962 4.566 -3.451 -5.938 1.00 0.00 O ATOM 645 CB ALA A 962 6.802 -5.682 -6.775 1.00 0.00 C ATOM 0 H ALA A 962 7.451 -3.985 -5.108 1.00 0.00 H new ATOM 0 HA ALA A 962 6.990 -3.931 -7.966 1.00 0.00 H new ATOM 0 HB1 ALA A 962 6.295 -6.242 -7.561 1.00 0.00 H new ATOM 0 HB2 ALA A 962 7.870 -5.900 -6.805 1.00 0.00 H new ATOM 0 HB3 ALA A 962 6.399 -5.973 -5.805 1.00 0.00 H new ATOM 651 N SER A 963 4.440 -3.964 -8.105 1.00 0.00 N ATOM 652 CA SER A 963 3.027 -3.689 -8.176 1.00 0.00 C ATOM 653 C SER A 963 2.295 -4.910 -7.624 1.00 0.00 C ATOM 654 O SER A 963 2.872 -5.989 -7.612 1.00 0.00 O ATOM 655 CB SER A 963 2.639 -3.460 -9.629 1.00 0.00 C ATOM 656 OG SER A 963 3.670 -2.785 -10.332 1.00 0.00 O ATOM 0 H SER A 963 4.863 -4.248 -8.989 1.00 0.00 H new ATOM 0 HA SER A 963 2.767 -2.801 -7.600 1.00 0.00 H new ATOM 0 HB2 SER A 963 2.433 -4.417 -10.109 1.00 0.00 H new ATOM 0 HB3 SER A 963 1.720 -2.876 -9.676 1.00 0.00 H new ATOM 0 HG SER A 963 3.563 -1.817 -10.220 1.00 0.00 H new ATOM 662 N PRO A 964 1.045 -4.767 -7.159 1.00 0.00 N ATOM 663 CA PRO A 964 0.253 -5.875 -6.595 1.00 0.00 C ATOM 664 C PRO A 964 0.206 -7.162 -7.444 1.00 0.00 C ATOM 665 O PRO A 964 -0.065 -8.235 -6.918 1.00 0.00 O ATOM 666 CB PRO A 964 -1.153 -5.311 -6.472 1.00 0.00 C ATOM 667 CG PRO A 964 -1.086 -3.847 -6.762 1.00 0.00 C ATOM 668 CD PRO A 964 0.338 -3.489 -7.085 1.00 0.00 C ATOM 0 HA PRO A 964 0.713 -6.192 -5.659 1.00 0.00 H new ATOM 0 HB2 PRO A 964 -1.826 -5.808 -7.170 1.00 0.00 H new ATOM 0 HB3 PRO A 964 -1.548 -5.484 -5.471 1.00 0.00 H new ATOM 0 HG2 PRO A 964 -1.739 -3.596 -7.598 1.00 0.00 H new ATOM 0 HG3 PRO A 964 -1.435 -3.274 -5.903 1.00 0.00 H new ATOM 0 HD2 PRO A 964 0.404 -2.947 -8.028 1.00 0.00 H new ATOM 0 HD3 PRO A 964 0.767 -2.845 -6.317 1.00 0.00 H new ATOM 676 N SER A 965 0.403 -7.056 -8.747 1.00 0.00 N ATOM 677 CA SER A 965 0.438 -8.230 -9.607 1.00 0.00 C ATOM 678 C SER A 965 1.824 -8.890 -9.505 1.00 0.00 C ATOM 679 O SER A 965 1.946 -10.112 -9.396 1.00 0.00 O ATOM 680 CB SER A 965 0.103 -7.833 -11.052 1.00 0.00 C ATOM 681 OG SER A 965 -0.025 -8.962 -11.898 1.00 0.00 O ATOM 0 H SER A 965 0.541 -6.170 -9.234 1.00 0.00 H new ATOM 0 HA SER A 965 -0.311 -8.953 -9.284 1.00 0.00 H new ATOM 0 HB2 SER A 965 -0.826 -7.263 -11.065 1.00 0.00 H new ATOM 0 HB3 SER A 965 0.884 -7.178 -11.438 1.00 0.00 H new ATOM 0 HG SER A 965 -0.240 -8.667 -12.807 1.00 0.00 H new ATOM 687 N GLU A 966 2.854 -8.052 -9.526 1.00 0.00 N ATOM 688 CA GLU A 966 4.245 -8.482 -9.353 1.00 0.00 C ATOM 689 C GLU A 966 4.441 -9.048 -7.942 1.00 0.00 C ATOM 690 O GLU A 966 5.259 -9.944 -7.711 1.00 0.00 O ATOM 691 CB GLU A 966 5.192 -7.295 -9.539 1.00 0.00 C ATOM 692 CG GLU A 966 5.010 -6.511 -10.827 1.00 0.00 C ATOM 693 CD GLU A 966 5.155 -7.358 -12.064 1.00 0.00 C ATOM 694 OE1 GLU A 966 6.231 -7.945 -12.277 1.00 0.00 O ATOM 695 OE2 GLU A 966 4.209 -7.405 -12.871 1.00 0.00 O ATOM 0 H GLU A 966 2.751 -7.047 -9.664 1.00 0.00 H new ATOM 0 HA GLU A 966 4.466 -9.247 -10.097 1.00 0.00 H new ATOM 0 HB2 GLU A 966 5.063 -6.614 -8.698 1.00 0.00 H new ATOM 0 HB3 GLU A 966 6.218 -7.661 -9.498 1.00 0.00 H new ATOM 0 HG2 GLU A 966 4.024 -6.047 -10.826 1.00 0.00 H new ATOM 0 HG3 GLU A 966 5.742 -5.704 -10.860 1.00 0.00 H new ATOM 702 N LEU A 967 3.692 -8.492 -7.008 1.00 0.00 N ATOM 703 CA LEU A 967 3.667 -8.941 -5.640 1.00 0.00 C ATOM 704 C LEU A 967 3.015 -10.305 -5.599 1.00 0.00 C ATOM 705 O LEU A 967 1.862 -10.471 -6.002 1.00 0.00 O ATOM 706 CB LEU A 967 2.923 -7.902 -4.806 1.00 0.00 C ATOM 707 CG LEU A 967 3.697 -6.599 -4.603 1.00 0.00 C ATOM 708 CD1 LEU A 967 2.834 -5.556 -3.932 1.00 0.00 C ATOM 709 CD2 LEU A 967 4.955 -6.846 -3.785 1.00 0.00 C ATOM 0 H LEU A 967 3.074 -7.701 -7.189 1.00 0.00 H new ATOM 0 HA LEU A 967 4.669 -9.042 -5.222 1.00 0.00 H new ATOM 0 HB2 LEU A 967 1.972 -7.677 -5.289 1.00 0.00 H new ATOM 0 HB3 LEU A 967 2.692 -8.331 -3.831 1.00 0.00 H new ATOM 0 HG LEU A 967 3.986 -6.224 -5.585 1.00 0.00 H new ATOM 0 HD11 LEU A 967 3.408 -4.639 -3.799 1.00 0.00 H new ATOM 0 HD12 LEU A 967 1.962 -5.351 -4.553 1.00 0.00 H new ATOM 0 HD13 LEU A 967 2.508 -5.924 -2.959 1.00 0.00 H new ATOM 0 HD21 LEU A 967 5.492 -5.907 -3.651 1.00 0.00 H new ATOM 0 HD22 LEU A 967 4.682 -7.250 -2.810 1.00 0.00 H new ATOM 0 HD23 LEU A 967 5.594 -7.559 -4.307 1.00 0.00 H new ATOM 721 N THR A 968 3.772 -11.276 -5.153 1.00 0.00 N ATOM 722 CA THR A 968 3.371 -12.656 -5.224 1.00 0.00 C ATOM 723 C THR A 968 3.445 -13.320 -3.856 1.00 0.00 C ATOM 724 O THR A 968 3.698 -12.666 -2.834 1.00 0.00 O ATOM 725 CB THR A 968 4.278 -13.395 -6.230 1.00 0.00 C ATOM 726 OG1 THR A 968 5.649 -13.015 -6.019 1.00 0.00 O ATOM 727 CG2 THR A 968 3.883 -13.086 -7.667 1.00 0.00 C ATOM 0 H THR A 968 4.688 -11.129 -4.729 1.00 0.00 H new ATOM 0 HA THR A 968 2.335 -12.706 -5.559 1.00 0.00 H new ATOM 0 HB THR A 968 4.158 -14.466 -6.065 1.00 0.00 H new ATOM 0 HG1 THR A 968 6.222 -13.488 -6.659 1.00 0.00 H new ATOM 0 HG21 THR A 968 4.542 -13.623 -8.349 1.00 0.00 H new ATOM 0 HG22 THR A 968 2.853 -13.399 -7.837 1.00 0.00 H new ATOM 0 HG23 THR A 968 3.971 -12.014 -7.846 1.00 0.00 H new ATOM 735 N CYS A 969 3.192 -14.606 -3.811 1.00 0.00 N ATOM 736 CA CYS A 969 3.292 -15.332 -2.577 1.00 0.00 C ATOM 737 C CYS A 969 4.490 -16.275 -2.609 1.00 0.00 C ATOM 738 O CYS A 969 4.655 -17.058 -3.545 1.00 0.00 O ATOM 739 CB CYS A 969 2.007 -16.099 -2.290 1.00 0.00 C ATOM 740 SG CYS A 969 1.516 -17.286 -3.567 1.00 0.00 S ATOM 0 H CYS A 969 2.916 -15.167 -4.617 1.00 0.00 H new ATOM 0 HA CYS A 969 3.440 -14.614 -1.770 1.00 0.00 H new ATOM 0 HB2 CYS A 969 2.124 -16.632 -1.347 1.00 0.00 H new ATOM 0 HB3 CYS A 969 1.198 -15.382 -2.153 1.00 0.00 H new ATOM 0 HG CYS A 969 2.576 -17.749 -4.160 1.00 0.00 H new ATOM 746 N PRO A 970 5.377 -16.152 -1.622 1.00 0.00 N ATOM 747 CA PRO A 970 6.506 -17.067 -1.449 1.00 0.00 C ATOM 748 C PRO A 970 6.038 -18.400 -0.829 1.00 0.00 C ATOM 749 O PRO A 970 4.857 -18.518 -0.457 1.00 0.00 O ATOM 750 CB PRO A 970 7.414 -16.278 -0.499 1.00 0.00 C ATOM 751 CG PRO A 970 6.483 -15.470 0.313 1.00 0.00 C ATOM 752 CD PRO A 970 5.370 -15.086 -0.612 1.00 0.00 C ATOM 0 HA PRO A 970 7.002 -17.351 -2.377 1.00 0.00 H new ATOM 0 HB2 PRO A 970 8.010 -16.944 0.125 1.00 0.00 H new ATOM 0 HB3 PRO A 970 8.112 -15.647 -1.049 1.00 0.00 H new ATOM 0 HG2 PRO A 970 6.107 -16.041 1.162 1.00 0.00 H new ATOM 0 HG3 PRO A 970 6.979 -14.587 0.716 1.00 0.00 H new ATOM 0 HD2 PRO A 970 4.415 -15.035 -0.090 1.00 0.00 H new ATOM 0 HD3 PRO A 970 5.541 -14.107 -1.061 1.00 0.00 H new ATOM 760 N PRO A 971 6.934 -19.414 -0.729 1.00 0.00 N ATOM 761 CA PRO A 971 6.619 -20.750 -0.192 1.00 0.00 C ATOM 762 C PRO A 971 5.735 -20.765 1.061 1.00 0.00 C ATOM 763 O PRO A 971 4.727 -21.471 1.103 1.00 0.00 O ATOM 764 CB PRO A 971 7.995 -21.358 0.126 1.00 0.00 C ATOM 765 CG PRO A 971 9.014 -20.340 -0.264 1.00 0.00 C ATOM 766 CD PRO A 971 8.330 -19.370 -1.178 1.00 0.00 C ATOM 0 HA PRO A 971 6.030 -21.305 -0.922 1.00 0.00 H new ATOM 0 HB2 PRO A 971 8.076 -21.600 1.186 1.00 0.00 H new ATOM 0 HB3 PRO A 971 8.145 -22.286 -0.425 1.00 0.00 H new ATOM 0 HG2 PRO A 971 9.408 -19.831 0.616 1.00 0.00 H new ATOM 0 HG3 PRO A 971 9.860 -20.812 -0.764 1.00 0.00 H new ATOM 0 HD2 PRO A 971 8.750 -18.368 -1.089 1.00 0.00 H new ATOM 0 HD3 PRO A 971 8.426 -19.665 -2.223 1.00 0.00 H new ATOM 774 N GLY A 972 6.062 -19.968 2.060 1.00 0.00 N ATOM 775 CA GLY A 972 5.317 -20.009 3.291 1.00 0.00 C ATOM 776 C GLY A 972 4.318 -18.881 3.432 1.00 0.00 C ATOM 777 O GLY A 972 3.796 -18.660 4.508 1.00 0.00 O ATOM 0 H GLY A 972 6.828 -19.295 2.040 1.00 0.00 H new ATOM 0 HA2 GLY A 972 4.789 -20.961 3.355 1.00 0.00 H new ATOM 0 HA3 GLY A 972 6.013 -19.973 4.129 1.00 0.00 H new ATOM 781 N TRP A 973 4.019 -18.171 2.364 1.00 0.00 N ATOM 782 CA TRP A 973 3.053 -17.093 2.470 1.00 0.00 C ATOM 783 C TRP A 973 1.869 -17.315 1.566 1.00 0.00 C ATOM 784 O TRP A 973 2.001 -17.448 0.360 1.00 0.00 O ATOM 785 CB TRP A 973 3.684 -15.723 2.289 1.00 0.00 C ATOM 786 CG TRP A 973 4.463 -15.293 3.488 1.00 0.00 C ATOM 787 CD1 TRP A 973 5.810 -15.239 3.593 1.00 0.00 C ATOM 788 CD2 TRP A 973 3.945 -14.901 4.762 1.00 0.00 C ATOM 789 NE1 TRP A 973 6.175 -14.820 4.849 1.00 0.00 N ATOM 790 CE2 TRP A 973 5.045 -14.604 5.588 1.00 0.00 C ATOM 791 CE3 TRP A 973 2.663 -14.765 5.279 1.00 0.00 C ATOM 792 CZ2 TRP A 973 4.895 -14.181 6.907 1.00 0.00 C ATOM 793 CZ3 TRP A 973 2.511 -14.354 6.586 1.00 0.00 C ATOM 794 CH2 TRP A 973 3.621 -14.065 7.390 1.00 0.00 C ATOM 0 H TRP A 973 4.417 -18.313 1.436 1.00 0.00 H new ATOM 0 HA TRP A 973 2.673 -17.108 3.491 1.00 0.00 H new ATOM 0 HB2 TRP A 973 4.341 -15.740 1.419 1.00 0.00 H new ATOM 0 HB3 TRP A 973 2.903 -14.990 2.084 1.00 0.00 H new ATOM 0 HD1 TRP A 973 6.501 -15.490 2.802 1.00 0.00 H new ATOM 0 HE1 TRP A 973 7.132 -14.691 5.177 1.00 0.00 H new ATOM 0 HE3 TRP A 973 1.799 -14.978 4.667 1.00 0.00 H new ATOM 0 HZ2 TRP A 973 5.752 -13.954 7.524 1.00 0.00 H new ATOM 0 HZ3 TRP A 973 1.518 -14.253 6.998 1.00 0.00 H new ATOM 0 HH2 TRP A 973 3.468 -13.745 8.410 1.00 0.00 H new ATOM 805 N GLU A 974 0.727 -17.360 2.195 1.00 0.00 N ATOM 806 CA GLU A 974 -0.559 -17.698 1.625 1.00 0.00 C ATOM 807 C GLU A 974 -1.437 -16.454 1.572 1.00 0.00 C ATOM 808 O GLU A 974 -1.539 -15.728 2.558 1.00 0.00 O ATOM 809 CB GLU A 974 -1.179 -18.728 2.572 1.00 0.00 C ATOM 810 CG GLU A 974 -2.596 -19.151 2.274 1.00 0.00 C ATOM 811 CD GLU A 974 -2.710 -19.972 1.010 1.00 0.00 C ATOM 812 OE1 GLU A 974 -2.721 -19.394 -0.095 1.00 0.00 O ATOM 813 OE2 GLU A 974 -2.776 -21.215 1.100 1.00 0.00 O ATOM 0 H GLU A 974 0.660 -17.147 3.190 1.00 0.00 H new ATOM 0 HA GLU A 974 -0.463 -18.089 0.612 1.00 0.00 H new ATOM 0 HB2 GLU A 974 -0.549 -19.618 2.567 1.00 0.00 H new ATOM 0 HB3 GLU A 974 -1.150 -18.322 3.583 1.00 0.00 H new ATOM 0 HG2 GLU A 974 -2.981 -19.730 3.113 1.00 0.00 H new ATOM 0 HG3 GLU A 974 -3.223 -18.264 2.183 1.00 0.00 H new ATOM 820 N TRP A 975 -1.989 -16.151 0.421 1.00 0.00 N ATOM 821 CA TRP A 975 -2.935 -15.056 0.325 1.00 0.00 C ATOM 822 C TRP A 975 -4.259 -15.375 0.996 1.00 0.00 C ATOM 823 O TRP A 975 -5.044 -16.199 0.522 1.00 0.00 O ATOM 824 CB TRP A 975 -3.180 -14.627 -1.115 1.00 0.00 C ATOM 825 CG TRP A 975 -2.017 -13.947 -1.741 1.00 0.00 C ATOM 826 CD1 TRP A 975 -1.359 -14.318 -2.867 1.00 0.00 C ATOM 827 CD2 TRP A 975 -1.374 -12.764 -1.260 1.00 0.00 C ATOM 828 NE1 TRP A 975 -0.365 -13.418 -3.136 1.00 0.00 N ATOM 829 CE2 TRP A 975 -0.346 -12.458 -2.161 1.00 0.00 C ATOM 830 CE3 TRP A 975 -1.579 -11.932 -0.157 1.00 0.00 C ATOM 831 CZ2 TRP A 975 0.480 -11.352 -1.996 1.00 0.00 C ATOM 832 CZ3 TRP A 975 -0.759 -10.835 0.007 1.00 0.00 C ATOM 833 CH2 TRP A 975 0.257 -10.554 -0.908 1.00 0.00 C ATOM 0 H TRP A 975 -1.805 -16.639 -0.455 1.00 0.00 H new ATOM 0 HA TRP A 975 -2.472 -14.225 0.857 1.00 0.00 H new ATOM 0 HB2 TRP A 975 -3.439 -15.505 -1.707 1.00 0.00 H new ATOM 0 HB3 TRP A 975 -4.040 -13.958 -1.144 1.00 0.00 H new ATOM 0 HD1 TRP A 975 -1.585 -15.191 -3.461 1.00 0.00 H new ATOM 0 HE1 TRP A 975 0.264 -13.456 -3.938 1.00 0.00 H new ATOM 0 HE3 TRP A 975 -2.364 -12.143 0.554 1.00 0.00 H new ATOM 0 HZ2 TRP A 975 1.268 -11.131 -2.701 1.00 0.00 H new ATOM 0 HZ3 TRP A 975 -0.905 -10.184 0.856 1.00 0.00 H new ATOM 0 HH2 TRP A 975 0.881 -9.686 -0.753 1.00 0.00 H new ATOM 844 N GLU A 976 -4.466 -14.751 2.134 1.00 0.00 N ATOM 845 CA GLU A 976 -5.737 -14.818 2.821 1.00 0.00 C ATOM 846 C GLU A 976 -6.737 -13.986 2.030 1.00 0.00 C ATOM 847 O GLU A 976 -7.847 -14.426 1.709 1.00 0.00 O ATOM 848 CB GLU A 976 -5.604 -14.261 4.243 1.00 0.00 C ATOM 849 CG GLU A 976 -6.909 -14.237 5.024 1.00 0.00 C ATOM 850 CD GLU A 976 -7.412 -15.610 5.409 1.00 0.00 C ATOM 851 OE1 GLU A 976 -7.768 -16.413 4.528 1.00 0.00 O ATOM 852 OE2 GLU A 976 -7.476 -15.896 6.621 1.00 0.00 O ATOM 0 H GLU A 976 -3.762 -14.185 2.608 1.00 0.00 H new ATOM 0 HA GLU A 976 -6.071 -15.853 2.893 1.00 0.00 H new ATOM 0 HB2 GLU A 976 -4.876 -14.860 4.790 1.00 0.00 H new ATOM 0 HB3 GLU A 976 -5.206 -13.248 4.189 1.00 0.00 H new ATOM 0 HG2 GLU A 976 -6.770 -13.644 5.928 1.00 0.00 H new ATOM 0 HG3 GLU A 976 -7.670 -13.735 4.427 1.00 0.00 H new ATOM 859 N ASP A 977 -6.300 -12.791 1.671 1.00 0.00 N ATOM 860 CA ASP A 977 -7.134 -11.870 0.945 1.00 0.00 C ATOM 861 C ASP A 977 -7.049 -12.079 -0.556 1.00 0.00 C ATOM 862 O ASP A 977 -6.085 -12.651 -1.056 1.00 0.00 O ATOM 863 CB ASP A 977 -6.835 -10.438 1.327 1.00 0.00 C ATOM 864 CG ASP A 977 -7.652 -9.980 2.513 1.00 0.00 C ATOM 865 OD1 ASP A 977 -8.894 -9.889 2.391 1.00 0.00 O ATOM 866 OD2 ASP A 977 -7.084 -9.698 3.583 1.00 0.00 O ATOM 0 H ASP A 977 -5.364 -12.441 1.876 1.00 0.00 H new ATOM 0 HA ASP A 977 -8.165 -12.080 1.232 1.00 0.00 H new ATOM 0 HB2 ASP A 977 -5.775 -10.340 1.559 1.00 0.00 H new ATOM 0 HB3 ASP A 977 -7.037 -9.787 0.476 1.00 0.00 H new ATOM 871 N ASP A 978 -8.047 -11.575 -1.268 1.00 0.00 N ATOM 872 CA ASP A 978 -8.243 -11.906 -2.680 1.00 0.00 C ATOM 873 C ASP A 978 -7.551 -10.963 -3.665 1.00 0.00 C ATOM 874 O ASP A 978 -6.783 -11.419 -4.511 1.00 0.00 O ATOM 875 CB ASP A 978 -9.740 -11.956 -2.983 1.00 0.00 C ATOM 876 CG ASP A 978 -10.473 -12.945 -2.099 1.00 0.00 C ATOM 877 OD1 ASP A 978 -10.763 -12.611 -0.929 1.00 0.00 O ATOM 878 OD2 ASP A 978 -10.767 -14.073 -2.550 1.00 0.00 O ATOM 0 H ASP A 978 -8.741 -10.930 -0.891 1.00 0.00 H new ATOM 0 HA ASP A 978 -7.771 -12.878 -2.827 1.00 0.00 H new ATOM 0 HB2 ASP A 978 -10.169 -10.963 -2.847 1.00 0.00 H new ATOM 0 HB3 ASP A 978 -9.888 -12.227 -4.028 1.00 0.00 H new ATOM 883 N ALA A 979 -7.786 -9.660 -3.552 1.00 0.00 N ATOM 884 CA ALA A 979 -7.290 -8.696 -4.532 1.00 0.00 C ATOM 885 C ALA A 979 -7.001 -7.381 -3.833 1.00 0.00 C ATOM 886 O ALA A 979 -7.833 -6.907 -3.064 1.00 0.00 O ATOM 887 CB ALA A 979 -8.309 -8.489 -5.639 1.00 0.00 C ATOM 0 H ALA A 979 -8.319 -9.244 -2.788 1.00 0.00 H new ATOM 0 HA ALA A 979 -6.374 -9.080 -4.982 1.00 0.00 H new ATOM 0 HB1 ALA A 979 -7.922 -7.768 -6.359 1.00 0.00 H new ATOM 0 HB2 ALA A 979 -8.499 -9.438 -6.141 1.00 0.00 H new ATOM 0 HB3 ALA A 979 -9.239 -8.112 -5.212 1.00 0.00 H new ATOM 893 N TRP A 980 -5.836 -6.813 -4.105 1.00 0.00 N ATOM 894 CA TRP A 980 -5.375 -5.627 -3.371 1.00 0.00 C ATOM 895 C TRP A 980 -6.345 -4.486 -3.580 1.00 0.00 C ATOM 896 O TRP A 980 -6.612 -4.081 -4.710 1.00 0.00 O ATOM 897 CB TRP A 980 -3.982 -5.156 -3.778 1.00 0.00 C ATOM 898 CG TRP A 980 -2.908 -6.202 -3.717 1.00 0.00 C ATOM 899 CD1 TRP A 980 -2.815 -7.340 -4.466 1.00 0.00 C ATOM 900 CD2 TRP A 980 -1.742 -6.175 -2.890 1.00 0.00 C ATOM 901 NE1 TRP A 980 -1.671 -8.024 -4.148 1.00 0.00 N ATOM 902 CE2 TRP A 980 -0.994 -7.331 -3.186 1.00 0.00 C ATOM 903 CE3 TRP A 980 -1.259 -5.287 -1.925 1.00 0.00 C ATOM 904 CZ2 TRP A 980 0.209 -7.618 -2.557 1.00 0.00 C ATOM 905 CZ3 TRP A 980 -0.064 -5.577 -1.297 1.00 0.00 C ATOM 906 CH2 TRP A 980 0.658 -6.732 -1.616 1.00 0.00 C ATOM 0 H TRP A 980 -5.191 -7.145 -4.822 1.00 0.00 H new ATOM 0 HA TRP A 980 -5.326 -5.923 -2.323 1.00 0.00 H new ATOM 0 HB2 TRP A 980 -4.031 -4.768 -4.795 1.00 0.00 H new ATOM 0 HB3 TRP A 980 -3.694 -4.326 -3.133 1.00 0.00 H new ATOM 0 HD1 TRP A 980 -3.539 -7.655 -5.203 1.00 0.00 H new ATOM 0 HE1 TRP A 980 -1.374 -8.907 -4.563 1.00 0.00 H new ATOM 0 HE3 TRP A 980 -1.809 -4.392 -1.675 1.00 0.00 H new ATOM 0 HZ2 TRP A 980 0.770 -8.508 -2.801 1.00 0.00 H new ATOM 0 HZ3 TRP A 980 0.320 -4.901 -0.547 1.00 0.00 H new ATOM 0 HH2 TRP A 980 1.591 -6.929 -1.108 1.00 0.00 H new ATOM 917 N SER A 981 -6.859 -3.970 -2.501 1.00 0.00 N ATOM 918 CA SER A 981 -7.849 -2.915 -2.557 1.00 0.00 C ATOM 919 C SER A 981 -7.327 -1.722 -1.771 1.00 0.00 C ATOM 920 O SER A 981 -6.520 -1.904 -0.882 1.00 0.00 O ATOM 921 CB SER A 981 -9.158 -3.435 -1.960 1.00 0.00 C ATOM 922 OG SER A 981 -8.952 -3.951 -0.647 1.00 0.00 O ATOM 0 H SER A 981 -6.609 -4.263 -1.556 1.00 0.00 H new ATOM 0 HA SER A 981 -8.035 -2.606 -3.586 1.00 0.00 H new ATOM 0 HB2 SER A 981 -9.892 -2.630 -1.927 1.00 0.00 H new ATOM 0 HB3 SER A 981 -9.569 -4.215 -2.601 1.00 0.00 H new ATOM 0 HG SER A 981 -9.803 -4.276 -0.286 1.00 0.00 H new ATOM 928 N TYR A 982 -7.791 -0.528 -2.060 1.00 0.00 N ATOM 929 CA TYR A 982 -7.305 0.633 -1.319 1.00 0.00 C ATOM 930 C TYR A 982 -7.870 0.632 0.098 1.00 0.00 C ATOM 931 O TYR A 982 -9.016 0.234 0.341 1.00 0.00 O ATOM 932 CB TYR A 982 -7.567 1.975 -2.043 1.00 0.00 C ATOM 933 CG TYR A 982 -8.991 2.252 -2.504 1.00 0.00 C ATOM 934 CD1 TYR A 982 -10.030 1.373 -2.244 1.00 0.00 C ATOM 935 CD2 TYR A 982 -9.278 3.409 -3.212 1.00 0.00 C ATOM 936 CE1 TYR A 982 -11.317 1.636 -2.679 1.00 0.00 C ATOM 937 CE2 TYR A 982 -10.557 3.685 -3.650 1.00 0.00 C ATOM 938 CZ TYR A 982 -11.574 2.797 -3.382 1.00 0.00 C ATOM 939 OH TYR A 982 -12.853 3.068 -3.824 1.00 0.00 O ATOM 0 H TYR A 982 -8.485 -0.328 -2.780 1.00 0.00 H new ATOM 0 HA TYR A 982 -6.220 0.544 -1.261 1.00 0.00 H new ATOM 0 HB2 TYR A 982 -7.265 2.783 -1.376 1.00 0.00 H new ATOM 0 HB3 TYR A 982 -6.915 2.021 -2.915 1.00 0.00 H new ATOM 0 HD1 TYR A 982 -9.832 0.466 -1.692 1.00 0.00 H new ATOM 0 HD2 TYR A 982 -8.484 4.109 -3.425 1.00 0.00 H new ATOM 0 HE1 TYR A 982 -12.115 0.939 -2.470 1.00 0.00 H new ATOM 0 HE2 TYR A 982 -10.759 4.592 -4.200 1.00 0.00 H new ATOM 0 HH TYR A 982 -12.860 3.925 -4.300 1.00 0.00 H new ATOM 949 N ASP A 983 -7.025 1.017 1.030 1.00 0.00 N ATOM 950 CA ASP A 983 -7.312 0.904 2.448 1.00 0.00 C ATOM 951 C ASP A 983 -7.969 2.166 2.975 1.00 0.00 C ATOM 952 O ASP A 983 -7.493 3.275 2.740 1.00 0.00 O ATOM 953 CB ASP A 983 -6.008 0.615 3.199 1.00 0.00 C ATOM 954 CG ASP A 983 -6.190 0.361 4.681 1.00 0.00 C ATOM 955 OD1 ASP A 983 -7.334 0.140 5.127 1.00 0.00 O ATOM 956 OD2 ASP A 983 -5.173 0.343 5.412 1.00 0.00 O ATOM 0 H ASP A 983 -6.111 1.421 0.825 1.00 0.00 H new ATOM 0 HA ASP A 983 -8.012 0.084 2.607 1.00 0.00 H new ATOM 0 HB2 ASP A 983 -5.527 -0.254 2.749 1.00 0.00 H new ATOM 0 HB3 ASP A 983 -5.331 1.459 3.067 1.00 0.00 H new ATOM 961 N ILE A 984 -9.062 1.975 3.684 1.00 0.00 N ATOM 962 CA ILE A 984 -9.842 3.061 4.246 1.00 0.00 C ATOM 963 C ILE A 984 -9.833 3.025 5.771 1.00 0.00 C ATOM 964 O ILE A 984 -10.589 3.739 6.431 1.00 0.00 O ATOM 965 CB ILE A 984 -11.296 3.055 3.692 1.00 0.00 C ATOM 966 CG1 ILE A 984 -11.901 1.634 3.599 1.00 0.00 C ATOM 967 CG2 ILE A 984 -11.342 3.724 2.330 1.00 0.00 C ATOM 968 CD1 ILE A 984 -12.164 0.939 4.922 1.00 0.00 C ATOM 0 H ILE A 984 -9.440 1.050 3.889 1.00 0.00 H new ATOM 0 HA ILE A 984 -9.372 3.995 3.938 1.00 0.00 H new ATOM 0 HB ILE A 984 -11.903 3.615 4.403 1.00 0.00 H new ATOM 0 HG12 ILE A 984 -12.840 1.695 3.049 1.00 0.00 H new ATOM 0 HG13 ILE A 984 -11.227 1.011 3.011 1.00 0.00 H new ATOM 0 HG21 ILE A 984 -12.365 3.713 1.954 1.00 0.00 H new ATOM 0 HG22 ILE A 984 -10.999 4.755 2.419 1.00 0.00 H new ATOM 0 HG23 ILE A 984 -10.695 3.185 1.638 1.00 0.00 H new ATOM 0 HD11 ILE A 984 -12.587 -0.048 4.737 1.00 0.00 H new ATOM 0 HD12 ILE A 984 -11.228 0.835 5.471 1.00 0.00 H new ATOM 0 HD13 ILE A 984 -12.866 1.530 5.510 1.00 0.00 H new ATOM 980 N ASN A 985 -8.920 2.241 6.323 1.00 0.00 N ATOM 981 CA ASN A 985 -8.821 2.044 7.769 1.00 0.00 C ATOM 982 C ASN A 985 -7.738 2.978 8.332 1.00 0.00 C ATOM 983 O ASN A 985 -7.293 2.849 9.476 1.00 0.00 O ATOM 984 CB ASN A 985 -8.468 0.567 8.034 1.00 0.00 C ATOM 985 CG ASN A 985 -8.453 0.135 9.498 1.00 0.00 C ATOM 986 OD1 ASN A 985 -7.648 -0.716 9.884 1.00 0.00 O ATOM 987 ND2 ASN A 985 -9.369 0.635 10.308 1.00 0.00 N ATOM 0 H ASN A 985 -8.225 1.722 5.786 1.00 0.00 H new ATOM 0 HA ASN A 985 -9.765 2.279 8.260 1.00 0.00 H new ATOM 0 HB2 ASN A 985 -9.182 -0.058 7.499 1.00 0.00 H new ATOM 0 HB3 ASN A 985 -7.486 0.366 7.606 1.00 0.00 H new ATOM 0 HD21 ASN A 985 -9.421 0.318 11.276 1.00 0.00 H new ATOM 0 HD22 ASN A 985 -10.024 1.338 9.965 1.00 0.00 H new ATOM 994 N ARG A 986 -7.363 3.977 7.540 1.00 0.00 N ATOM 995 CA ARG A 986 -6.281 4.906 7.875 1.00 0.00 C ATOM 996 C ARG A 986 -6.705 6.295 7.451 1.00 0.00 C ATOM 997 O ARG A 986 -7.808 6.456 6.917 1.00 0.00 O ATOM 998 CB ARG A 986 -4.933 4.559 7.197 1.00 0.00 C ATOM 999 CG ARG A 986 -4.093 3.512 7.914 1.00 0.00 C ATOM 1000 CD ARG A 986 -4.682 2.127 7.814 1.00 0.00 C ATOM 1001 NE ARG A 986 -4.058 1.179 8.738 1.00 0.00 N ATOM 1002 CZ ARG A 986 -4.454 -0.085 8.868 1.00 0.00 C ATOM 1003 NH1 ARG A 986 -5.134 -0.676 7.888 1.00 0.00 N ATOM 1004 NH2 ARG A 986 -4.070 -0.780 9.925 1.00 0.00 N ATOM 0 H ARG A 986 -7.803 4.169 6.640 1.00 0.00 H new ATOM 0 HA ARG A 986 -6.113 4.838 8.950 1.00 0.00 H new ATOM 0 HB2 ARG A 986 -5.134 4.208 6.185 1.00 0.00 H new ATOM 0 HB3 ARG A 986 -4.345 5.472 7.107 1.00 0.00 H new ATOM 0 HG2 ARG A 986 -3.088 3.507 7.492 1.00 0.00 H new ATOM 0 HG3 ARG A 986 -3.996 3.787 8.964 1.00 0.00 H new ATOM 0 HD2 ARG A 986 -5.752 2.176 8.018 1.00 0.00 H new ATOM 0 HD3 ARG A 986 -4.569 1.761 6.793 1.00 0.00 H new ATOM 0 HE ARG A 986 -3.280 1.504 9.312 1.00 0.00 H new ATOM 0 HH11 ARG A 986 -5.352 -0.160 7.036 1.00 0.00 H new ATOM 0 HH12 ARG A 986 -5.437 -1.645 7.989 1.00 0.00 H new ATOM 0 HH21 ARG A 986 -3.476 -0.347 10.632 1.00 0.00 H new ATOM 0 HH22 ARG A 986 -4.368 -1.749 10.034 1.00 0.00 H new ATOM 1018 N ALA A 987 -5.856 7.291 7.675 1.00 0.00 N ATOM 1019 CA ALA A 987 -6.171 8.656 7.294 1.00 0.00 C ATOM 1020 C ALA A 987 -5.996 8.852 5.794 1.00 0.00 C ATOM 1021 O ALA A 987 -4.921 9.204 5.309 1.00 0.00 O ATOM 1022 CB ALA A 987 -5.315 9.645 8.076 1.00 0.00 C ATOM 0 H ALA A 987 -4.945 7.176 8.119 1.00 0.00 H new ATOM 0 HA ALA A 987 -7.216 8.846 7.539 1.00 0.00 H new ATOM 0 HB1 ALA A 987 -5.567 10.662 7.775 1.00 0.00 H new ATOM 0 HB2 ALA A 987 -5.503 9.525 9.143 1.00 0.00 H new ATOM 0 HB3 ALA A 987 -4.261 9.456 7.870 1.00 0.00 H new ATOM 1028 N VAL A 988 -7.044 8.538 5.069 1.00 0.00 N ATOM 1029 CA VAL A 988 -7.083 8.685 3.627 1.00 0.00 C ATOM 1030 C VAL A 988 -8.285 9.522 3.239 1.00 0.00 C ATOM 1031 O VAL A 988 -9.051 9.953 4.101 1.00 0.00 O ATOM 1032 CB VAL A 988 -7.143 7.312 2.906 1.00 0.00 C ATOM 1033 CG1 VAL A 988 -5.838 6.551 3.083 1.00 0.00 C ATOM 1034 CG2 VAL A 988 -8.309 6.479 3.417 1.00 0.00 C ATOM 0 H VAL A 988 -7.907 8.168 5.467 1.00 0.00 H new ATOM 0 HA VAL A 988 -6.164 9.180 3.314 1.00 0.00 H new ATOM 0 HB VAL A 988 -7.294 7.501 1.843 1.00 0.00 H new ATOM 0 HG11 VAL A 988 -5.904 5.592 2.569 1.00 0.00 H new ATOM 0 HG12 VAL A 988 -5.018 7.133 2.662 1.00 0.00 H new ATOM 0 HG13 VAL A 988 -5.656 6.382 4.144 1.00 0.00 H new ATOM 0 HG21 VAL A 988 -8.329 5.522 2.896 1.00 0.00 H new ATOM 0 HG22 VAL A 988 -8.192 6.307 4.487 1.00 0.00 H new ATOM 0 HG23 VAL A 988 -9.243 7.010 3.235 1.00 0.00 H new ATOM 1044 N ASP A 989 -8.462 9.729 1.954 1.00 0.00 N ATOM 1045 CA ASP A 989 -9.598 10.470 1.424 1.00 0.00 C ATOM 1046 C ASP A 989 -10.834 9.574 1.546 1.00 0.00 C ATOM 1047 O ASP A 989 -10.706 8.414 1.951 1.00 0.00 O ATOM 1048 CB ASP A 989 -9.299 10.831 -0.045 1.00 0.00 C ATOM 1049 CG ASP A 989 -10.389 11.607 -0.743 1.00 0.00 C ATOM 1050 OD1 ASP A 989 -10.441 12.837 -0.620 1.00 0.00 O ATOM 1051 OD2 ASP A 989 -11.211 10.986 -1.443 1.00 0.00 O ATOM 0 H ASP A 989 -7.821 9.388 1.237 1.00 0.00 H new ATOM 0 HA ASP A 989 -9.778 11.395 1.972 1.00 0.00 H new ATOM 0 HB2 ASP A 989 -8.378 11.414 -0.081 1.00 0.00 H new ATOM 0 HB3 ASP A 989 -9.116 9.911 -0.600 1.00 0.00 H new ATOM 1056 N GLU A 990 -12.009 10.054 1.164 1.00 0.00 N ATOM 1057 CA GLU A 990 -13.225 9.267 1.297 1.00 0.00 C ATOM 1058 C GLU A 990 -13.195 8.043 0.425 1.00 0.00 C ATOM 1059 O GLU A 990 -13.789 7.011 0.747 1.00 0.00 O ATOM 1060 CB GLU A 990 -14.459 10.115 1.033 1.00 0.00 C ATOM 1061 CG GLU A 990 -14.798 10.922 2.252 1.00 0.00 C ATOM 1062 CD GLU A 990 -16.010 11.811 2.101 1.00 0.00 C ATOM 1063 OE1 GLU A 990 -17.145 11.310 2.204 1.00 0.00 O ATOM 1064 OE2 GLU A 990 -15.841 13.033 1.910 1.00 0.00 O ATOM 0 H GLU A 990 -12.145 10.981 0.761 1.00 0.00 H new ATOM 0 HA GLU A 990 -13.279 8.920 2.329 1.00 0.00 H new ATOM 0 HB2 GLU A 990 -14.281 10.778 0.186 1.00 0.00 H new ATOM 0 HB3 GLU A 990 -15.300 9.475 0.765 1.00 0.00 H new ATOM 0 HG2 GLU A 990 -14.965 10.242 3.087 1.00 0.00 H new ATOM 0 HG3 GLU A 990 -13.940 11.541 2.512 1.00 0.00 H new ATOM 1071 N LYS A 991 -12.473 8.145 -0.655 1.00 0.00 N ATOM 1072 CA LYS A 991 -12.314 7.023 -1.535 1.00 0.00 C ATOM 1073 C LYS A 991 -11.153 6.193 -1.007 1.00 0.00 C ATOM 1074 O LYS A 991 -11.293 5.016 -0.689 1.00 0.00 O ATOM 1075 CB LYS A 991 -12.009 7.537 -2.932 1.00 0.00 C ATOM 1076 CG LYS A 991 -12.866 8.729 -3.278 1.00 0.00 C ATOM 1077 CD LYS A 991 -12.368 9.460 -4.496 1.00 0.00 C ATOM 1078 CE LYS A 991 -13.146 10.744 -4.636 1.00 0.00 C ATOM 1079 NZ LYS A 991 -12.574 11.644 -5.660 1.00 0.00 N ATOM 0 H LYS A 991 -11.986 8.992 -0.947 1.00 0.00 H new ATOM 0 HA LYS A 991 -13.217 6.414 -1.578 1.00 0.00 H new ATOM 0 HB2 LYS A 991 -10.956 7.812 -2.999 1.00 0.00 H new ATOM 0 HB3 LYS A 991 -12.177 6.742 -3.659 1.00 0.00 H new ATOM 0 HG2 LYS A 991 -13.891 8.399 -3.449 1.00 0.00 H new ATOM 0 HG3 LYS A 991 -12.890 9.414 -2.431 1.00 0.00 H new ATOM 0 HD2 LYS A 991 -11.303 9.671 -4.402 1.00 0.00 H new ATOM 0 HD3 LYS A 991 -12.493 8.843 -5.386 1.00 0.00 H new ATOM 0 HE2 LYS A 991 -14.179 10.513 -4.896 1.00 0.00 H new ATOM 0 HE3 LYS A 991 -13.167 11.259 -3.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 991 -13.145 12.512 -5.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 991 -11.597 11.889 -5.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 991 -12.577 11.166 -6.583 1.00 0.00 H new ATOM 1093 N GLY A 992 -10.015 6.861 -0.903 1.00 0.00 N ATOM 1094 CA GLY A 992 -8.817 6.257 -0.374 1.00 0.00 C ATOM 1095 C GLY A 992 -7.613 6.712 -1.140 1.00 0.00 C ATOM 1096 O GLY A 992 -7.077 5.971 -1.946 1.00 0.00 O ATOM 0 H GLY A 992 -9.903 7.835 -1.184 1.00 0.00 H new ATOM 0 HA2 GLY A 992 -8.705 6.519 0.678 1.00 0.00 H new ATOM 0 HA3 GLY A 992 -8.898 5.171 -0.425 1.00 0.00 H new ATOM 1100 N TRP A 993 -7.252 7.970 -0.932 1.00 0.00 N ATOM 1101 CA TRP A 993 -6.091 8.602 -1.549 1.00 0.00 C ATOM 1102 C TRP A 993 -5.539 9.571 -0.526 1.00 0.00 C ATOM 1103 O TRP A 993 -6.317 10.182 0.197 1.00 0.00 O ATOM 1104 CB TRP A 993 -6.487 9.383 -2.807 1.00 0.00 C ATOM 1105 CG TRP A 993 -7.111 8.540 -3.872 1.00 0.00 C ATOM 1106 CD1 TRP A 993 -8.439 8.294 -4.045 1.00 0.00 C ATOM 1107 CD2 TRP A 993 -6.431 7.831 -4.908 1.00 0.00 C ATOM 1108 NE1 TRP A 993 -8.625 7.463 -5.113 1.00 0.00 N ATOM 1109 CE2 TRP A 993 -7.411 7.180 -5.674 1.00 0.00 C ATOM 1110 CE3 TRP A 993 -5.088 7.689 -5.264 1.00 0.00 C ATOM 1111 CZ2 TRP A 993 -7.092 6.400 -6.780 1.00 0.00 C ATOM 1112 CZ3 TRP A 993 -4.773 6.919 -6.363 1.00 0.00 C ATOM 1113 CH2 TRP A 993 -5.771 6.286 -7.109 1.00 0.00 C ATOM 0 H TRP A 993 -7.770 8.596 -0.315 1.00 0.00 H new ATOM 0 HA TRP A 993 -5.363 7.846 -1.843 1.00 0.00 H new ATOM 0 HB2 TRP A 993 -7.184 10.173 -2.528 1.00 0.00 H new ATOM 0 HB3 TRP A 993 -5.601 9.869 -3.215 1.00 0.00 H new ATOM 0 HD1 TRP A 993 -9.229 8.697 -3.428 1.00 0.00 H new ATOM 0 HE1 TRP A 993 -9.525 7.110 -5.439 1.00 0.00 H new ATOM 0 HE3 TRP A 993 -4.312 8.173 -4.690 1.00 0.00 H new ATOM 0 HZ2 TRP A 993 -7.859 5.904 -7.356 1.00 0.00 H new ATOM 0 HZ3 TRP A 993 -3.739 6.803 -6.652 1.00 0.00 H new ATOM 0 HH2 TRP A 993 -5.491 5.692 -7.967 1.00 0.00 H new ATOM 1124 N GLU A 994 -4.242 9.688 -0.400 1.00 0.00 N ATOM 1125 CA GLU A 994 -3.652 10.593 0.558 1.00 0.00 C ATOM 1126 C GLU A 994 -3.213 11.872 -0.137 1.00 0.00 C ATOM 1127 O GLU A 994 -2.939 11.889 -1.359 1.00 0.00 O ATOM 1128 CB GLU A 994 -2.419 9.975 1.222 1.00 0.00 C ATOM 1129 CG GLU A 994 -2.565 8.516 1.599 1.00 0.00 C ATOM 1130 CD GLU A 994 -1.348 7.968 2.322 1.00 0.00 C ATOM 1131 OE1 GLU A 994 -0.323 7.697 1.667 1.00 0.00 O ATOM 1132 OE2 GLU A 994 -1.412 7.788 3.557 1.00 0.00 O ATOM 0 H GLU A 994 -3.566 9.162 -0.955 1.00 0.00 H new ATOM 0 HA GLU A 994 -4.408 10.802 1.315 1.00 0.00 H new ATOM 0 HB2 GLU A 994 -1.570 10.078 0.546 1.00 0.00 H new ATOM 0 HB3 GLU A 994 -2.183 10.546 2.120 1.00 0.00 H new ATOM 0 HG2 GLU A 994 -3.443 8.396 2.234 1.00 0.00 H new ATOM 0 HG3 GLU A 994 -2.741 7.929 0.698 1.00 0.00 H new ATOM 1139 N TYR A 995 -3.063 12.878 0.707 1.00 0.00 N ATOM 1140 CA TYR A 995 -2.733 14.255 0.388 1.00 0.00 C ATOM 1141 C TYR A 995 -1.234 14.395 0.240 1.00 0.00 C ATOM 1142 O TYR A 995 -0.531 14.432 1.232 1.00 0.00 O ATOM 1143 CB TYR A 995 -3.255 15.148 1.548 1.00 0.00 C ATOM 1144 CG TYR A 995 -2.871 16.631 1.571 1.00 0.00 C ATOM 1145 CD1 TYR A 995 -1.643 17.056 2.077 1.00 0.00 C ATOM 1146 CD2 TYR A 995 -3.754 17.608 1.135 1.00 0.00 C ATOM 1147 CE1 TYR A 995 -1.308 18.395 2.130 1.00 0.00 C ATOM 1148 CE2 TYR A 995 -3.431 18.948 1.190 1.00 0.00 C ATOM 1149 CZ TYR A 995 -2.206 19.336 1.685 1.00 0.00 C ATOM 1150 OH TYR A 995 -1.890 20.673 1.748 1.00 0.00 O ATOM 0 H TYR A 995 -3.178 12.742 1.711 1.00 0.00 H new ATOM 0 HA TYR A 995 -3.195 14.559 -0.551 1.00 0.00 H new ATOM 0 HB2 TYR A 995 -4.343 15.089 1.545 1.00 0.00 H new ATOM 0 HB3 TYR A 995 -2.915 14.705 2.484 1.00 0.00 H new ATOM 0 HD1 TYR A 995 -0.938 16.321 2.436 1.00 0.00 H new ATOM 0 HD2 TYR A 995 -4.716 17.313 0.744 1.00 0.00 H new ATOM 0 HE1 TYR A 995 -0.348 18.700 2.518 1.00 0.00 H new ATOM 0 HE2 TYR A 995 -4.136 19.690 0.846 1.00 0.00 H new ATOM 0 HH TYR A 995 -2.634 21.202 1.392 1.00 0.00 H new ATOM 1160 N GLY A 996 -0.744 14.397 -0.977 1.00 0.00 N ATOM 1161 CA GLY A 996 0.659 14.626 -1.161 1.00 0.00 C ATOM 1162 C GLY A 996 0.891 15.826 -2.020 1.00 0.00 C ATOM 1163 O GLY A 996 0.400 15.904 -3.149 1.00 0.00 O ATOM 0 H GLY A 996 -1.283 14.247 -1.830 1.00 0.00 H new ATOM 0 HA2 GLY A 996 1.139 14.768 -0.193 1.00 0.00 H new ATOM 0 HA3 GLY A 996 1.118 13.750 -1.620 1.00 0.00 H new ATOM 1167 N ILE A 997 1.584 16.803 -1.507 1.00 0.00 N ATOM 1168 CA ILE A 997 1.879 17.942 -2.330 1.00 0.00 C ATOM 1169 C ILE A 997 3.374 18.205 -2.299 1.00 0.00 C ATOM 1170 O ILE A 997 4.036 17.994 -1.277 1.00 0.00 O ATOM 1171 CB ILE A 997 1.078 19.228 -1.939 1.00 0.00 C ATOM 1172 CG1 ILE A 997 1.622 19.850 -0.645 1.00 0.00 C ATOM 1173 CG2 ILE A 997 -0.408 18.910 -1.783 1.00 0.00 C ATOM 1174 CD1 ILE A 997 0.914 21.122 -0.220 1.00 0.00 C ATOM 0 H ILE A 997 1.946 16.837 -0.554 1.00 0.00 H new ATOM 0 HA ILE A 997 1.558 17.700 -3.343 1.00 0.00 H new ATOM 0 HB ILE A 997 1.201 19.952 -2.744 1.00 0.00 H new ATOM 0 HG12 ILE A 997 1.542 19.118 0.158 1.00 0.00 H new ATOM 0 HG13 ILE A 997 2.683 20.065 -0.776 1.00 0.00 H new ATOM 0 HG21 ILE A 997 -0.948 19.817 -1.511 1.00 0.00 H new ATOM 0 HG22 ILE A 997 -0.798 18.524 -2.725 1.00 0.00 H new ATOM 0 HG23 ILE A 997 -0.540 18.161 -1.002 1.00 0.00 H new ATOM 0 HD11 ILE A 997 1.359 21.496 0.702 1.00 0.00 H new ATOM 0 HD12 ILE A 997 1.016 21.874 -1.003 1.00 0.00 H new ATOM 0 HD13 ILE A 997 -0.143 20.912 -0.053 1.00 0.00 H new ATOM 1186 N THR A 998 3.897 18.612 -3.422 1.00 0.00 N ATOM 1187 CA THR A 998 5.292 18.901 -3.572 1.00 0.00 C ATOM 1188 C THR A 998 5.386 20.053 -4.562 1.00 0.00 C ATOM 1189 O THR A 998 4.445 20.268 -5.335 1.00 0.00 O ATOM 1190 CB THR A 998 6.055 17.652 -4.089 1.00 0.00 C ATOM 1191 OG1 THR A 998 7.469 17.865 -4.091 1.00 0.00 O ATOM 1192 CG2 THR A 998 5.621 17.260 -5.492 1.00 0.00 C ATOM 0 H THR A 998 3.354 18.754 -4.273 1.00 0.00 H new ATOM 0 HA THR A 998 5.748 19.171 -2.619 1.00 0.00 H new ATOM 0 HB THR A 998 5.809 16.843 -3.401 1.00 0.00 H new ATOM 0 HG1 THR A 998 7.921 17.060 -4.420 1.00 0.00 H new ATOM 0 HG21 THR A 998 6.180 16.382 -5.814 1.00 0.00 H new ATOM 0 HG22 THR A 998 4.555 17.032 -5.493 1.00 0.00 H new ATOM 0 HG23 THR A 998 5.816 18.085 -6.177 1.00 0.00 H new ATOM 1200 N ILE A 999 6.448 20.827 -4.524 1.00 0.00 N ATOM 1201 CA ILE A 999 6.599 21.895 -5.491 1.00 0.00 C ATOM 1202 C ILE A 999 7.815 21.662 -6.368 1.00 0.00 C ATOM 1203 O ILE A 999 8.955 21.758 -5.917 1.00 0.00 O ATOM 1204 CB ILE A 999 6.624 23.312 -4.861 1.00 0.00 C ATOM 1205 CG1 ILE A 999 7.636 23.413 -3.709 1.00 0.00 C ATOM 1206 CG2 ILE A 999 5.225 23.698 -4.396 1.00 0.00 C ATOM 1207 CD1 ILE A 999 7.754 24.804 -3.127 1.00 0.00 C ATOM 0 H ILE A 999 7.207 20.742 -3.848 1.00 0.00 H new ATOM 0 HA ILE A 999 5.704 21.866 -6.113 1.00 0.00 H new ATOM 0 HB ILE A 999 6.950 24.015 -5.628 1.00 0.00 H new ATOM 0 HG12 ILE A 999 7.345 22.721 -2.919 1.00 0.00 H new ATOM 0 HG13 ILE A 999 8.615 23.094 -4.067 1.00 0.00 H new ATOM 0 HG21 ILE A 999 5.250 24.694 -3.955 1.00 0.00 H new ATOM 0 HG22 ILE A 999 4.545 23.696 -5.248 1.00 0.00 H new ATOM 0 HG23 ILE A 999 4.878 22.981 -3.653 1.00 0.00 H new ATOM 0 HD11 ILE A 999 8.486 24.800 -2.319 1.00 0.00 H new ATOM 0 HD12 ILE A 999 8.076 25.497 -3.904 1.00 0.00 H new ATOM 0 HD13 ILE A 999 6.786 25.119 -2.738 1.00 0.00 H new ATOM 1219 N PRO A1000 7.576 21.303 -7.637 1.00 0.00 N ATOM 1220 CA PRO A1000 8.648 21.007 -8.584 1.00 0.00 C ATOM 1221 C PRO A1000 9.448 22.250 -8.971 1.00 0.00 C ATOM 1222 O PRO A1000 8.871 23.318 -9.203 1.00 0.00 O ATOM 1223 CB PRO A1000 7.909 20.440 -9.801 1.00 0.00 C ATOM 1224 CG PRO A1000 6.523 20.976 -9.709 1.00 0.00 C ATOM 1225 CD PRO A1000 6.237 21.161 -8.246 1.00 0.00 C ATOM 0 HA PRO A1000 9.382 20.322 -8.161 1.00 0.00 H new ATOM 0 HB2 PRO A1000 8.388 20.748 -10.730 1.00 0.00 H new ATOM 0 HB3 PRO A1000 7.910 19.350 -9.788 1.00 0.00 H new ATOM 0 HG2 PRO A1000 6.436 21.921 -10.245 1.00 0.00 H new ATOM 0 HG3 PRO A1000 5.809 20.287 -10.160 1.00 0.00 H new ATOM 0 HD2 PRO A1000 5.622 22.043 -8.068 1.00 0.00 H new ATOM 0 HD3 PRO A1000 5.699 20.308 -7.833 1.00 0.00 H new ATOM 1233 N PRO A1001 10.784 22.131 -9.020 1.00 0.00 N ATOM 1234 CA PRO A1001 11.479 20.902 -8.688 1.00 0.00 C ATOM 1235 C PRO A1001 11.785 20.781 -7.208 1.00 0.00 C ATOM 1236 O PRO A1001 11.993 21.772 -6.495 1.00 0.00 O ATOM 1237 CB PRO A1001 12.783 20.975 -9.477 1.00 0.00 C ATOM 1238 CG PRO A1001 12.838 22.342 -10.061 1.00 0.00 C ATOM 1239 CD PRO A1001 11.730 23.155 -9.448 1.00 0.00 C ATOM 0 HA PRO A1001 10.865 20.035 -8.933 1.00 0.00 H new ATOM 0 HB2 PRO A1001 13.641 20.794 -8.829 1.00 0.00 H new ATOM 0 HB3 PRO A1001 12.808 20.216 -10.259 1.00 0.00 H new ATOM 0 HG2 PRO A1001 13.805 22.803 -9.860 1.00 0.00 H new ATOM 0 HG3 PRO A1001 12.724 22.298 -11.144 1.00 0.00 H new ATOM 0 HD2 PRO A1001 12.084 23.756 -8.610 1.00 0.00 H new ATOM 0 HD3 PRO A1001 11.285 23.842 -10.168 1.00 0.00 H new ATOM 1247 N ASP A1002 11.822 19.552 -6.789 1.00 0.00 N ATOM 1248 CA ASP A1002 12.107 19.167 -5.415 1.00 0.00 C ATOM 1249 C ASP A1002 12.425 17.685 -5.408 1.00 0.00 C ATOM 1250 O ASP A1002 13.587 17.306 -5.559 1.00 0.00 O ATOM 1251 CB ASP A1002 10.925 19.485 -4.483 1.00 0.00 C ATOM 1252 CG ASP A1002 11.244 19.279 -3.015 1.00 0.00 C ATOM 1253 OD1 ASP A1002 11.920 20.143 -2.415 1.00 0.00 O ATOM 1254 OD2 ASP A1002 10.805 18.279 -2.422 1.00 0.00 O ATOM 0 H ASP A1002 11.651 18.756 -7.403 1.00 0.00 H new ATOM 0 HA ASP A1002 12.956 19.737 -5.039 1.00 0.00 H new ATOM 0 HB2 ASP A1002 10.617 20.519 -4.639 1.00 0.00 H new ATOM 0 HB3 ASP A1002 10.078 18.856 -4.755 1.00 0.00 H new ATOM 1259 N HIS A1003 11.389 16.862 -5.304 1.00 0.00 N ATOM 1260 CA HIS A1003 11.511 15.419 -5.448 1.00 0.00 C ATOM 1261 C HIS A1003 10.139 14.791 -5.309 1.00 0.00 C ATOM 1262 O HIS A1003 9.484 14.495 -6.306 1.00 0.00 O ATOM 1263 CB HIS A1003 12.494 14.792 -4.442 1.00 0.00 C ATOM 1264 CG HIS A1003 13.224 13.633 -5.035 1.00 0.00 C ATOM 1265 ND1 HIS A1003 13.766 12.594 -4.314 1.00 0.00 N ATOM 1266 CD2 HIS A1003 13.553 13.406 -6.318 1.00 0.00 C ATOM 1267 CE1 HIS A1003 14.401 11.781 -5.135 1.00 0.00 C ATOM 1268 NE2 HIS A1003 14.288 12.250 -6.360 1.00 0.00 N ATOM 0 H HIS A1003 10.438 17.179 -5.117 1.00 0.00 H new ATOM 0 HA HIS A1003 11.922 15.220 -6.437 1.00 0.00 H new ATOM 0 HB2 HIS A1003 13.211 15.545 -4.115 1.00 0.00 H new ATOM 0 HB3 HIS A1003 11.949 14.465 -3.556 1.00 0.00 H new ATOM 0 HD2 HIS A1003 13.286 14.023 -7.163 1.00 0.00 H new ATOM 0 HE1 HIS A1003 14.926 10.881 -4.850 1.00 0.00 H new ATOM 0 HE2 HIS A1003 14.681 11.824 -7.199 1.00 0.00 H new ATOM 1277 N LYS A1004 9.688 14.607 -4.085 1.00 0.00 N ATOM 1278 CA LYS A1004 8.374 14.055 -3.842 1.00 0.00 C ATOM 1279 C LYS A1004 7.775 14.718 -2.617 1.00 0.00 C ATOM 1280 O LYS A1004 8.507 15.327 -1.830 1.00 0.00 O ATOM 1281 CB LYS A1004 8.418 12.547 -3.566 1.00 0.00 C ATOM 1282 CG LYS A1004 9.022 11.669 -4.642 1.00 0.00 C ATOM 1283 CD LYS A1004 8.817 10.221 -4.256 1.00 0.00 C ATOM 1284 CE LYS A1004 9.577 9.246 -5.146 1.00 0.00 C ATOM 1285 NZ LYS A1004 9.276 9.383 -6.594 1.00 0.00 N ATOM 0 H LYS A1004 10.215 14.833 -3.242 1.00 0.00 H new ATOM 0 HA LYS A1004 7.781 14.235 -4.739 1.00 0.00 H new ATOM 0 HB2 LYS A1004 8.978 12.387 -2.645 1.00 0.00 H new ATOM 0 HB3 LYS A1004 7.399 12.206 -3.383 1.00 0.00 H new ATOM 0 HG2 LYS A1004 8.553 11.874 -5.604 1.00 0.00 H new ATOM 0 HG3 LYS A1004 10.085 11.884 -4.753 1.00 0.00 H new ATOM 0 HD2 LYS A1004 9.132 10.080 -3.222 1.00 0.00 H new ATOM 0 HD3 LYS A1004 7.753 9.988 -4.299 1.00 0.00 H new ATOM 0 HE2 LYS A1004 10.647 9.390 -4.993 1.00 0.00 H new ATOM 0 HE3 LYS A1004 9.344 8.228 -4.833 1.00 0.00 H new ATOM 0 HZ1 LYS A1004 9.737 8.613 -7.119 1.00 0.00 H new ATOM 0 HZ2 LYS A1004 8.248 9.335 -6.741 1.00 0.00 H new ATOM 0 HZ3 LYS A1004 9.632 10.298 -6.938 1.00 0.00 H new ATOM 1299 N PRO A1005 6.441 14.647 -2.463 1.00 0.00 N ATOM 1300 CA PRO A1005 5.774 15.050 -1.232 1.00 0.00 C ATOM 1301 C PRO A1005 6.290 14.252 -0.052 1.00 0.00 C ATOM 1302 O PRO A1005 6.586 13.052 -0.169 1.00 0.00 O ATOM 1303 CB PRO A1005 4.311 14.704 -1.462 1.00 0.00 C ATOM 1304 CG PRO A1005 4.153 14.642 -2.934 1.00 0.00 C ATOM 1305 CD PRO A1005 5.483 14.234 -3.491 1.00 0.00 C ATOM 0 HA PRO A1005 5.941 16.104 -1.010 1.00 0.00 H new ATOM 0 HB2 PRO A1005 4.054 13.752 -0.998 1.00 0.00 H new ATOM 0 HB3 PRO A1005 3.655 15.458 -1.027 1.00 0.00 H new ATOM 0 HG2 PRO A1005 3.381 13.925 -3.211 1.00 0.00 H new ATOM 0 HG3 PRO A1005 3.847 15.609 -3.332 1.00 0.00 H new ATOM 0 HD2 PRO A1005 5.528 13.160 -3.670 1.00 0.00 H new ATOM 0 HD3 PRO A1005 5.684 14.724 -4.444 1.00 0.00 H new ATOM 1313 N LYS A1006 6.368 14.917 1.066 1.00 0.00 N ATOM 1314 CA LYS A1006 6.891 14.324 2.280 1.00 0.00 C ATOM 1315 C LYS A1006 5.694 13.905 3.093 1.00 0.00 C ATOM 1316 O LYS A1006 5.588 12.784 3.607 1.00 0.00 O ATOM 1317 CB LYS A1006 7.625 15.380 3.114 1.00 0.00 C ATOM 1318 CG LYS A1006 8.289 16.478 2.306 1.00 0.00 C ATOM 1319 CD LYS A1006 9.394 15.964 1.402 1.00 0.00 C ATOM 1320 CE LYS A1006 9.879 17.068 0.484 1.00 0.00 C ATOM 1321 NZ LYS A1006 11.036 16.648 -0.336 1.00 0.00 N ATOM 0 H LYS A1006 6.072 15.888 1.169 1.00 0.00 H new ATOM 0 HA LYS A1006 7.567 13.505 2.034 1.00 0.00 H new ATOM 0 HB2 LYS A1006 6.915 15.835 3.805 1.00 0.00 H new ATOM 0 HB3 LYS A1006 8.384 14.883 3.718 1.00 0.00 H new ATOM 0 HG2 LYS A1006 7.536 16.981 1.700 1.00 0.00 H new ATOM 0 HG3 LYS A1006 8.701 17.223 2.986 1.00 0.00 H new ATOM 0 HD2 LYS A1006 10.223 15.593 2.005 1.00 0.00 H new ATOM 0 HD3 LYS A1006 9.028 15.124 0.811 1.00 0.00 H new ATOM 0 HE2 LYS A1006 9.065 17.376 -0.172 1.00 0.00 H new ATOM 0 HE3 LYS A1006 10.155 17.938 1.080 1.00 0.00 H new ATOM 0 HZ1 LYS A1006 11.300 17.418 -0.984 1.00 0.00 H new ATOM 0 HZ2 LYS A1006 11.840 16.427 0.286 1.00 0.00 H new ATOM 0 HZ3 LYS A1006 10.782 15.803 -0.887 1.00 0.00 H new ATOM 1335 N SER A1007 4.803 14.865 3.176 1.00 0.00 N ATOM 1336 CA SER A1007 3.632 14.804 3.989 1.00 0.00 C ATOM 1337 C SER A1007 2.461 14.184 3.233 1.00 0.00 C ATOM 1338 O SER A1007 2.261 14.453 2.045 1.00 0.00 O ATOM 1339 CB SER A1007 3.298 16.230 4.399 1.00 0.00 C ATOM 1340 OG SER A1007 4.468 16.944 4.770 1.00 0.00 O ATOM 0 H SER A1007 4.886 15.739 2.656 1.00 0.00 H new ATOM 0 HA SER A1007 3.814 14.175 4.861 1.00 0.00 H new ATOM 0 HB2 SER A1007 2.802 16.742 3.574 1.00 0.00 H new ATOM 0 HB3 SER A1007 2.597 16.217 5.233 1.00 0.00 H new ATOM 0 HG SER A1007 4.226 17.858 5.027 1.00 0.00 H new ATOM 1346 N TRP A1008 1.723 13.349 3.949 1.00 0.00 N ATOM 1347 CA TRP A1008 0.507 12.715 3.462 1.00 0.00 C ATOM 1348 C TRP A1008 -0.516 12.835 4.569 1.00 0.00 C ATOM 1349 O TRP A1008 -0.214 12.567 5.738 1.00 0.00 O ATOM 1350 CB TRP A1008 0.738 11.256 3.036 1.00 0.00 C ATOM 1351 CG TRP A1008 1.834 11.172 2.047 1.00 0.00 C ATOM 1352 CD1 TRP A1008 3.147 11.075 2.329 1.00 0.00 C ATOM 1353 CD2 TRP A1008 1.720 11.233 0.618 1.00 0.00 C ATOM 1354 NE1 TRP A1008 3.868 11.133 1.186 1.00 0.00 N ATOM 1355 CE2 TRP A1008 3.024 11.202 0.111 1.00 0.00 C ATOM 1356 CE3 TRP A1008 0.650 11.317 -0.279 1.00 0.00 C ATOM 1357 CZ2 TRP A1008 3.295 11.259 -1.255 1.00 0.00 C ATOM 1358 CZ3 TRP A1008 0.918 11.364 -1.632 1.00 0.00 C ATOM 1359 CH2 TRP A1008 2.230 11.337 -2.109 1.00 0.00 C ATOM 0 H TRP A1008 1.958 13.087 4.906 1.00 0.00 H new ATOM 0 HA TRP A1008 0.153 13.212 2.559 1.00 0.00 H new ATOM 0 HB2 TRP A1008 0.981 10.650 3.909 1.00 0.00 H new ATOM 0 HB3 TRP A1008 -0.177 10.847 2.609 1.00 0.00 H new ATOM 0 HD1 TRP A1008 3.563 10.967 3.320 1.00 0.00 H new ATOM 0 HE1 TRP A1008 4.887 11.126 1.133 1.00 0.00 H new ATOM 0 HE3 TRP A1008 -0.368 11.345 0.081 1.00 0.00 H new ATOM 0 HZ2 TRP A1008 4.309 11.242 -1.625 1.00 0.00 H new ATOM 0 HZ3 TRP A1008 0.099 11.423 -2.334 1.00 0.00 H new ATOM 0 HH2 TRP A1008 2.407 11.379 -3.174 1.00 0.00 H new ATOM 1370 N VAL A1009 -1.705 13.259 4.200 1.00 0.00 N ATOM 1371 CA VAL A1009 -2.758 13.641 5.137 1.00 0.00 C ATOM 1372 C VAL A1009 -4.067 13.150 4.525 1.00 0.00 C ATOM 1373 O VAL A1009 -4.058 12.707 3.387 1.00 0.00 O ATOM 1374 CB VAL A1009 -2.803 15.204 5.299 1.00 0.00 C ATOM 1375 CG1 VAL A1009 -3.788 15.664 6.364 1.00 0.00 C ATOM 1376 CG2 VAL A1009 -1.428 15.786 5.603 1.00 0.00 C ATOM 0 H VAL A1009 -1.980 13.352 3.222 1.00 0.00 H new ATOM 0 HA VAL A1009 -2.585 13.210 6.123 1.00 0.00 H new ATOM 0 HB VAL A1009 -3.147 15.579 4.335 1.00 0.00 H new ATOM 0 HG11 VAL A1009 -3.773 16.752 6.428 1.00 0.00 H new ATOM 0 HG12 VAL A1009 -4.791 15.330 6.100 1.00 0.00 H new ATOM 0 HG13 VAL A1009 -3.506 15.240 7.328 1.00 0.00 H new ATOM 0 HG21 VAL A1009 -1.506 16.868 5.707 1.00 0.00 H new ATOM 0 HG22 VAL A1009 -1.049 15.359 6.531 1.00 0.00 H new ATOM 0 HG23 VAL A1009 -0.744 15.548 4.788 1.00 0.00 H new ATOM 1386 N ALA A1010 -5.165 13.179 5.237 1.00 0.00 N ATOM 1387 CA ALA A1010 -6.439 12.868 4.625 1.00 0.00 C ATOM 1388 C ALA A1010 -7.047 14.166 4.099 1.00 0.00 C ATOM 1389 O ALA A1010 -7.610 14.941 4.880 1.00 0.00 O ATOM 1390 CB ALA A1010 -7.371 12.208 5.633 1.00 0.00 C ATOM 0 H ALA A1010 -5.207 13.411 6.229 1.00 0.00 H new ATOM 0 HA ALA A1010 -6.295 12.167 3.803 1.00 0.00 H new ATOM 0 HB1 ALA A1010 -8.324 11.982 5.154 1.00 0.00 H new ATOM 0 HB2 ALA A1010 -6.919 11.285 5.996 1.00 0.00 H new ATOM 0 HB3 ALA A1010 -7.538 12.884 6.471 1.00 0.00 H new ATOM 1396 N ALA A1011 -6.881 14.430 2.797 1.00 0.00 N ATOM 1397 CA ALA A1011 -7.341 15.666 2.177 1.00 0.00 C ATOM 1398 C ALA A1011 -7.066 15.627 0.677 1.00 0.00 C ATOM 1399 O ALA A1011 -6.393 14.706 0.195 1.00 0.00 O ATOM 1400 CB ALA A1011 -6.634 16.868 2.795 1.00 0.00 C ATOM 0 H ALA A1011 -6.423 13.789 2.149 1.00 0.00 H new ATOM 0 HA ALA A1011 -8.413 15.762 2.348 1.00 0.00 H new ATOM 0 HB1 ALA A1011 -6.989 17.783 2.320 1.00 0.00 H new ATOM 0 HB2 ALA A1011 -6.848 16.907 3.863 1.00 0.00 H new ATOM 0 HB3 ALA A1011 -5.559 16.775 2.644 1.00 0.00 H new ATOM 1406 N GLU A1012 -7.487 16.672 -0.029 1.00 0.00 N ATOM 1407 CA GLU A1012 -7.309 16.765 -1.469 1.00 0.00 C ATOM 1408 C GLU A1012 -7.661 18.184 -1.917 1.00 0.00 C ATOM 1409 O GLU A1012 -8.820 18.600 -1.893 1.00 0.00 O ATOM 1410 CB GLU A1012 -8.136 15.717 -2.246 1.00 0.00 C ATOM 1411 CG GLU A1012 -7.438 15.205 -3.513 1.00 0.00 C ATOM 1412 CD GLU A1012 -7.125 16.283 -4.520 1.00 0.00 C ATOM 1413 OE1 GLU A1012 -6.112 16.955 -4.352 1.00 0.00 O ATOM 1414 OE2 GLU A1012 -7.872 16.458 -5.504 1.00 0.00 O ATOM 0 H GLU A1012 -7.960 17.476 0.383 1.00 0.00 H new ATOM 0 HA GLU A1012 -6.266 16.547 -1.697 1.00 0.00 H new ATOM 0 HB2 GLU A1012 -8.346 14.872 -1.590 1.00 0.00 H new ATOM 0 HB3 GLU A1012 -9.096 16.154 -2.521 1.00 0.00 H new ATOM 0 HG2 GLU A1012 -6.511 14.708 -3.229 1.00 0.00 H new ATOM 0 HG3 GLU A1012 -8.071 14.454 -3.985 1.00 0.00 H new ATOM 1421 N LYS A1013 -6.631 18.897 -2.324 1.00 0.00 N ATOM 1422 CA LYS A1013 -6.705 20.278 -2.771 1.00 0.00 C ATOM 1423 C LYS A1013 -6.161 20.363 -4.180 1.00 0.00 C ATOM 1424 O LYS A1013 -5.256 19.609 -4.524 1.00 0.00 O ATOM 1425 CB LYS A1013 -5.856 21.188 -1.887 1.00 0.00 C ATOM 1426 CG LYS A1013 -6.486 21.604 -0.575 1.00 0.00 C ATOM 1427 CD LYS A1013 -5.490 22.412 0.235 1.00 0.00 C ATOM 1428 CE LYS A1013 -6.164 23.268 1.294 1.00 0.00 C ATOM 1429 NZ LYS A1013 -5.169 23.984 2.128 1.00 0.00 N ATOM 0 H LYS A1013 -5.684 18.520 -2.355 1.00 0.00 H new ATOM 0 HA LYS A1013 -7.746 20.599 -2.723 1.00 0.00 H new ATOM 0 HB2 LYS A1013 -4.916 20.680 -1.672 1.00 0.00 H new ATOM 0 HB3 LYS A1013 -5.611 22.087 -2.452 1.00 0.00 H new ATOM 0 HG2 LYS A1013 -7.382 22.195 -0.762 1.00 0.00 H new ATOM 0 HG3 LYS A1013 -6.797 20.723 -0.014 1.00 0.00 H new ATOM 0 HD2 LYS A1013 -4.782 21.736 0.715 1.00 0.00 H new ATOM 0 HD3 LYS A1013 -4.916 23.052 -0.434 1.00 0.00 H new ATOM 0 HE2 LYS A1013 -6.825 23.990 0.814 1.00 0.00 H new ATOM 0 HE3 LYS A1013 -6.787 22.639 1.929 1.00 0.00 H new ATOM 0 HZ1 LYS A1013 -5.663 24.559 2.840 1.00 0.00 H new ATOM 0 HZ2 LYS A1013 -4.555 23.294 2.605 1.00 0.00 H new ATOM 0 HZ3 LYS A1013 -4.591 24.603 1.524 1.00 0.00 H new ATOM 1443 N MET A1014 -6.650 21.309 -4.954 1.00 0.00 N ATOM 1444 CA MET A1014 -6.239 21.493 -6.346 1.00 0.00 C ATOM 1445 C MET A1014 -4.736 21.616 -6.507 1.00 0.00 C ATOM 1446 O MET A1014 -4.171 21.076 -7.458 1.00 0.00 O ATOM 1447 CB MET A1014 -6.896 22.728 -6.912 1.00 0.00 C ATOM 1448 CG MET A1014 -6.485 23.053 -8.337 1.00 0.00 C ATOM 1449 SD MET A1014 -7.189 24.598 -8.923 1.00 0.00 S ATOM 1450 CE MET A1014 -6.402 24.709 -10.526 1.00 0.00 C ATOM 0 H MET A1014 -7.350 21.981 -4.640 1.00 0.00 H new ATOM 0 HA MET A1014 -6.555 20.602 -6.888 1.00 0.00 H new ATOM 0 HB2 MET A1014 -7.978 22.599 -6.878 1.00 0.00 H new ATOM 0 HB3 MET A1014 -6.657 23.578 -6.274 1.00 0.00 H new ATOM 0 HG2 MET A1014 -5.398 23.109 -8.394 1.00 0.00 H new ATOM 0 HG3 MET A1014 -6.798 22.243 -8.995 1.00 0.00 H new ATOM 0 HE1 MET A1014 -6.730 25.618 -11.030 1.00 0.00 H new ATOM 0 HE2 MET A1014 -5.320 24.735 -10.399 1.00 0.00 H new ATOM 0 HE3 MET A1014 -6.676 23.842 -11.127 1.00 0.00 H new ATOM 1460 N TYR A1015 -4.090 22.264 -5.543 1.00 0.00 N ATOM 1461 CA TYR A1015 -2.645 22.481 -5.559 1.00 0.00 C ATOM 1462 C TYR A1015 -1.879 21.192 -5.267 1.00 0.00 C ATOM 1463 O TYR A1015 -0.694 21.215 -4.942 1.00 0.00 O ATOM 1464 CB TYR A1015 -2.281 23.558 -4.536 1.00 0.00 C ATOM 1465 CG TYR A1015 -3.077 24.831 -4.702 1.00 0.00 C ATOM 1466 CD1 TYR A1015 -2.757 25.747 -5.694 1.00 0.00 C ATOM 1467 CD2 TYR A1015 -4.158 25.108 -3.873 1.00 0.00 C ATOM 1468 CE1 TYR A1015 -3.492 26.903 -5.858 1.00 0.00 C ATOM 1469 CE2 TYR A1015 -4.898 26.262 -4.027 1.00 0.00 C ATOM 1470 CZ TYR A1015 -4.560 27.156 -5.024 1.00 0.00 C ATOM 1471 OH TYR A1015 -5.299 28.306 -5.197 1.00 0.00 O ATOM 0 H TYR A1015 -4.555 22.656 -4.724 1.00 0.00 H new ATOM 0 HA TYR A1015 -2.359 22.811 -6.558 1.00 0.00 H new ATOM 0 HB2 TYR A1015 -2.442 23.165 -3.532 1.00 0.00 H new ATOM 0 HB3 TYR A1015 -1.219 23.788 -4.622 1.00 0.00 H new ATOM 0 HD1 TYR A1015 -1.920 25.552 -6.348 1.00 0.00 H new ATOM 0 HD2 TYR A1015 -4.423 24.408 -3.095 1.00 0.00 H new ATOM 0 HE1 TYR A1015 -3.232 27.606 -6.636 1.00 0.00 H new ATOM 0 HE2 TYR A1015 -5.734 26.465 -3.374 1.00 0.00 H new ATOM 0 HH TYR A1015 -6.017 28.337 -4.531 1.00 0.00 H new ATOM 1481 N HIS A1016 -2.582 20.068 -5.341 1.00 0.00 N ATOM 1482 CA HIS A1016 -1.960 18.777 -5.279 1.00 0.00 C ATOM 1483 C HIS A1016 -1.035 18.587 -6.463 1.00 0.00 C ATOM 1484 O HIS A1016 -1.043 19.354 -7.421 1.00 0.00 O ATOM 1485 CB HIS A1016 -3.025 17.712 -5.269 1.00 0.00 C ATOM 1486 CG HIS A1016 -3.276 17.069 -3.962 1.00 0.00 C ATOM 1487 ND1 HIS A1016 -3.313 15.777 -3.675 1.00 0.00 N flip ATOM 1488 CD2 HIS A1016 -3.639 17.730 -2.821 1.00 0.00 C flip ATOM 1489 CE1 HIS A1016 -3.712 15.636 -2.373 1.00 0.00 C flip ATOM 1490 NE2 HIS A1016 -3.901 16.842 -1.883 1.00 0.00 N flip ATOM 0 H HIS A1016 -3.596 20.040 -5.445 1.00 0.00 H new ATOM 0 HA HIS A1016 -1.369 18.702 -4.366 1.00 0.00 H new ATOM 0 HB2 HIS A1016 -3.957 18.153 -5.621 1.00 0.00 H new ATOM 0 HB3 HIS A1016 -2.747 16.939 -5.986 1.00 0.00 H new ATOM 0 HD2 HIS A1016 -3.701 18.802 -2.707 1.00 0.00 H new ATOM 0 HE1 HIS A1016 -3.847 14.704 -1.844 1.00 0.00 H new ATOM 0 HE2 HIS A1016 -4.201 17.055 -0.932 1.00 0.00 H new ATOM 1499 N THR A1017 -0.376 17.473 -6.443 1.00 0.00 N ATOM 1500 CA THR A1017 0.733 17.196 -7.330 1.00 0.00 C ATOM 1501 C THR A1017 0.997 15.705 -7.330 1.00 0.00 C ATOM 1502 O THR A1017 1.412 15.116 -8.316 1.00 0.00 O ATOM 1503 CB THR A1017 2.001 17.964 -6.896 1.00 0.00 C ATOM 1504 OG1 THR A1017 1.983 18.162 -5.474 1.00 0.00 O ATOM 1505 CG2 THR A1017 2.123 19.307 -7.601 1.00 0.00 C ATOM 0 H THR A1017 -0.589 16.709 -5.802 1.00 0.00 H new ATOM 0 HA THR A1017 0.476 17.529 -8.336 1.00 0.00 H new ATOM 0 HB THR A1017 2.866 17.363 -7.178 1.00 0.00 H new ATOM 0 HG1 THR A1017 1.683 19.073 -5.274 1.00 0.00 H new ATOM 0 HG21 THR A1017 3.029 19.813 -7.266 1.00 0.00 H new ATOM 0 HG22 THR A1017 2.173 19.149 -8.678 1.00 0.00 H new ATOM 0 HG23 THR A1017 1.255 19.922 -7.364 1.00 0.00 H new ATOM 1513 N HIS A1018 0.720 15.090 -6.201 1.00 0.00 N ATOM 1514 CA HIS A1018 0.859 13.658 -6.025 1.00 0.00 C ATOM 1515 C HIS A1018 -0.229 13.156 -5.091 1.00 0.00 C ATOM 1516 O HIS A1018 -0.818 13.919 -4.332 1.00 0.00 O ATOM 1517 CB HIS A1018 2.237 13.285 -5.470 1.00 0.00 C ATOM 1518 CG HIS A1018 3.360 13.310 -6.466 1.00 0.00 C ATOM 1519 ND1 HIS A1018 4.054 14.453 -6.823 1.00 0.00 N ATOM 1520 CD2 HIS A1018 3.933 12.302 -7.157 1.00 0.00 C ATOM 1521 CE1 HIS A1018 5.000 14.138 -7.686 1.00 0.00 C ATOM 1522 NE2 HIS A1018 4.945 12.844 -7.900 1.00 0.00 N ATOM 0 H HIS A1018 0.387 15.575 -5.368 1.00 0.00 H new ATOM 0 HA HIS A1018 0.759 13.185 -7.002 1.00 0.00 H new ATOM 0 HB2 HIS A1018 2.480 13.969 -4.657 1.00 0.00 H new ATOM 0 HB3 HIS A1018 2.178 12.286 -5.039 1.00 0.00 H new ATOM 0 HD2 HIS A1018 3.646 11.261 -7.128 1.00 0.00 H new ATOM 0 HE1 HIS A1018 5.699 14.826 -8.138 1.00 0.00 H new ATOM 0 HE2 HIS A1018 5.562 12.323 -8.524 1.00 0.00 H new ATOM 1531 N ARG A1019 -0.548 11.903 -5.207 1.00 0.00 N ATOM 1532 CA ARG A1019 -1.510 11.273 -4.335 1.00 0.00 C ATOM 1533 C ARG A1019 -1.165 9.822 -4.328 1.00 0.00 C ATOM 1534 O ARG A1019 -0.569 9.344 -5.302 1.00 0.00 O ATOM 1535 CB ARG A1019 -2.959 11.438 -4.811 1.00 0.00 C ATOM 1536 CG ARG A1019 -3.286 10.715 -6.109 1.00 0.00 C ATOM 1537 CD ARG A1019 -4.776 10.732 -6.360 1.00 0.00 C ATOM 1538 NE ARG A1019 -5.155 10.031 -7.596 1.00 0.00 N ATOM 1539 CZ ARG A1019 -6.406 9.909 -8.066 1.00 0.00 C ATOM 1540 NH1 ARG A1019 -7.429 10.508 -7.470 1.00 0.00 N ATOM 1541 NH2 ARG A1019 -6.636 9.157 -9.135 1.00 0.00 N ATOM 0 H ARG A1019 -0.150 11.280 -5.910 1.00 0.00 H new ATOM 0 HA ARG A1019 -1.460 11.737 -3.350 1.00 0.00 H new ATOM 0 HB2 ARG A1019 -3.627 11.075 -4.030 1.00 0.00 H new ATOM 0 HB3 ARG A1019 -3.166 12.500 -4.940 1.00 0.00 H new ATOM 0 HG2 ARG A1019 -2.765 11.192 -6.939 1.00 0.00 H new ATOM 0 HG3 ARG A1019 -2.931 9.686 -6.059 1.00 0.00 H new ATOM 0 HD2 ARG A1019 -5.287 10.271 -5.515 1.00 0.00 H new ATOM 0 HD3 ARG A1019 -5.119 11.765 -6.414 1.00 0.00 H new ATOM 0 HE ARG A1019 -4.406 9.603 -8.140 1.00 0.00 H new ATOM 0 HH11 ARG A1019 -7.273 11.075 -6.637 1.00 0.00 H new ATOM 0 HH12 ARG A1019 -8.372 10.401 -7.845 1.00 0.00 H new ATOM 0 HH21 ARG A1019 -5.864 8.675 -9.595 1.00 0.00 H new ATOM 0 HH22 ARG A1019 -7.585 9.061 -9.496 1.00 0.00 H new ATOM 1555 N ARG A1020 -1.476 9.129 -3.271 1.00 0.00 N ATOM 1556 CA ARG A1020 -1.182 7.705 -3.266 1.00 0.00 C ATOM 1557 C ARG A1020 -2.146 6.995 -2.390 1.00 0.00 C ATOM 1558 O ARG A1020 -2.851 7.610 -1.647 1.00 0.00 O ATOM 1559 CB ARG A1020 0.235 7.400 -2.797 1.00 0.00 C ATOM 1560 CG ARG A1020 0.512 7.871 -1.385 1.00 0.00 C ATOM 1561 CD ARG A1020 1.814 7.322 -0.852 1.00 0.00 C ATOM 1562 NE ARG A1020 2.969 7.702 -1.651 1.00 0.00 N ATOM 1563 CZ ARG A1020 4.169 7.938 -1.140 1.00 0.00 C ATOM 1564 NH1 ARG A1020 4.348 7.923 0.184 1.00 0.00 N ATOM 1565 NH2 ARG A1020 5.174 8.227 -1.957 1.00 0.00 N ATOM 0 H ARG A1020 -1.916 9.497 -2.427 1.00 0.00 H new ATOM 0 HA ARG A1020 -1.272 7.359 -4.296 1.00 0.00 H new ATOM 0 HB2 ARG A1020 0.406 6.325 -2.854 1.00 0.00 H new ATOM 0 HB3 ARG A1020 0.945 7.872 -3.476 1.00 0.00 H new ATOM 0 HG2 ARG A1020 0.543 8.960 -1.365 1.00 0.00 H new ATOM 0 HG3 ARG A1020 -0.305 7.563 -0.733 1.00 0.00 H new ATOM 0 HD2 ARG A1020 1.957 7.673 0.170 1.00 0.00 H new ATOM 0 HD3 ARG A1020 1.752 6.235 -0.810 1.00 0.00 H new ATOM 0 HE ARG A1020 2.849 7.792 -2.660 1.00 0.00 H new ATOM 0 HH11 ARG A1020 3.561 7.730 0.803 1.00 0.00 H new ATOM 0 HH12 ARG A1020 5.272 8.105 0.576 1.00 0.00 H new ATOM 0 HH21 ARG A1020 5.018 8.265 -2.964 1.00 0.00 H new ATOM 0 HH22 ARG A1020 6.103 8.411 -1.578 1.00 0.00 H new ATOM 1579 N ARG A1021 -2.204 5.712 -2.498 1.00 0.00 N ATOM 1580 CA ARG A1021 -3.114 4.975 -1.671 1.00 0.00 C ATOM 1581 C ARG A1021 -2.548 3.615 -1.386 1.00 0.00 C ATOM 1582 O ARG A1021 -1.891 3.030 -2.246 1.00 0.00 O ATOM 1583 CB ARG A1021 -4.440 4.875 -2.387 1.00 0.00 C ATOM 1584 CG ARG A1021 -4.321 4.235 -3.753 1.00 0.00 C ATOM 1585 CD ARG A1021 -5.638 4.089 -4.455 1.00 0.00 C ATOM 1586 NE ARG A1021 -5.389 3.456 -5.744 1.00 0.00 N ATOM 1587 CZ ARG A1021 -6.218 2.587 -6.347 1.00 0.00 C ATOM 1588 NH1 ARG A1021 -7.442 2.393 -5.876 1.00 0.00 N ATOM 1589 NH2 ARG A1021 -5.835 1.926 -7.437 1.00 0.00 N ATOM 0 H ARG A1021 -1.643 5.152 -3.140 1.00 0.00 H new ATOM 0 HA ARG A1021 -3.262 5.483 -0.718 1.00 0.00 H new ATOM 0 HB2 ARG A1021 -5.134 4.295 -1.778 1.00 0.00 H new ATOM 0 HB3 ARG A1021 -4.866 5.872 -2.494 1.00 0.00 H new ATOM 0 HG2 ARG A1021 -3.652 4.834 -4.371 1.00 0.00 H new ATOM 0 HG3 ARG A1021 -3.862 3.252 -3.648 1.00 0.00 H new ATOM 0 HD2 ARG A1021 -6.323 3.486 -3.859 1.00 0.00 H new ATOM 0 HD3 ARG A1021 -6.108 5.063 -4.592 1.00 0.00 H new ATOM 0 HE ARG A1021 -4.520 3.690 -6.225 1.00 0.00 H new ATOM 0 HH11 ARG A1021 -7.758 2.904 -5.052 1.00 0.00 H new ATOM 0 HH12 ARG A1021 -8.067 1.732 -6.337 1.00 0.00 H new ATOM 0 HH21 ARG A1021 -4.903 2.076 -7.824 1.00 0.00 H new ATOM 0 HH22 ARG A1021 -6.473 1.269 -7.886 1.00 0.00 H new ATOM 1603 N ARG A1022 -2.810 3.102 -0.208 1.00 0.00 N ATOM 1604 CA ARG A1022 -2.305 1.819 0.148 1.00 0.00 C ATOM 1605 C ARG A1022 -3.266 0.771 -0.350 1.00 0.00 C ATOM 1606 O ARG A1022 -4.422 0.752 0.057 1.00 0.00 O ATOM 1607 CB ARG A1022 -2.191 1.674 1.654 1.00 0.00 C ATOM 1608 CG ARG A1022 -1.792 0.273 2.062 1.00 0.00 C ATOM 1609 CD ARG A1022 -1.990 0.052 3.535 1.00 0.00 C ATOM 1610 NE ARG A1022 -1.107 0.848 4.338 1.00 0.00 N ATOM 1611 CZ ARG A1022 -1.241 0.972 5.663 1.00 0.00 C ATOM 1612 NH1 ARG A1022 -2.362 0.564 6.258 1.00 0.00 N ATOM 1613 NH2 ARG A1022 -0.302 1.550 6.392 1.00 0.00 N ATOM 0 H ARG A1022 -3.369 3.560 0.512 1.00 0.00 H new ATOM 0 HA ARG A1022 -1.317 1.701 -0.296 1.00 0.00 H new ATOM 0 HB2 ARG A1022 -1.456 2.384 2.032 1.00 0.00 H new ATOM 0 HB3 ARG A1022 -3.145 1.928 2.116 1.00 0.00 H new ATOM 0 HG2 ARG A1022 -2.382 -0.452 1.502 1.00 0.00 H new ATOM 0 HG3 ARG A1022 -0.747 0.101 1.804 1.00 0.00 H new ATOM 0 HD2 ARG A1022 -3.022 0.285 3.798 1.00 0.00 H new ATOM 0 HD3 ARG A1022 -1.832 -1.002 3.765 1.00 0.00 H new ATOM 0 HE ARG A1022 -0.342 1.342 3.878 1.00 0.00 H new ATOM 0 HH11 ARG A1022 -3.115 0.158 5.703 1.00 0.00 H new ATOM 0 HH12 ARG A1022 -2.466 0.658 7.268 1.00 0.00 H new ATOM 0 HH21 ARG A1022 0.541 1.910 5.945 1.00 0.00 H new ATOM 0 HH22 ARG A1022 -0.421 1.636 7.401 1.00 0.00 H new ATOM 1627 N LEU A1023 -2.823 -0.032 -1.271 1.00 0.00 N ATOM 1628 CA LEU A1023 -3.547 -1.209 -1.610 1.00 0.00 C ATOM 1629 C LEU A1023 -3.078 -2.221 -0.590 1.00 0.00 C ATOM 1630 O LEU A1023 -1.873 -2.424 -0.422 1.00 0.00 O ATOM 1631 CB LEU A1023 -3.241 -1.674 -3.037 1.00 0.00 C ATOM 1632 CG LEU A1023 -3.445 -0.617 -4.133 1.00 0.00 C ATOM 1633 CD1 LEU A1023 -3.037 -1.165 -5.487 1.00 0.00 C ATOM 1634 CD2 LEU A1023 -4.895 -0.157 -4.174 1.00 0.00 C ATOM 0 H LEU A1023 -1.962 0.111 -1.799 1.00 0.00 H new ATOM 0 HA LEU A1023 -4.626 -1.055 -1.590 1.00 0.00 H new ATOM 0 HB2 LEU A1023 -2.207 -2.017 -3.075 1.00 0.00 H new ATOM 0 HB3 LEU A1023 -3.871 -2.534 -3.264 1.00 0.00 H new ATOM 0 HG LEU A1023 -2.813 0.239 -3.897 1.00 0.00 H new ATOM 0 HD11 LEU A1023 -3.189 -0.401 -6.250 1.00 0.00 H new ATOM 0 HD12 LEU A1023 -1.985 -1.449 -5.463 1.00 0.00 H new ATOM 0 HD13 LEU A1023 -3.643 -2.039 -5.723 1.00 0.00 H new ATOM 0 HD21 LEU A1023 -5.017 0.591 -4.957 1.00 0.00 H new ATOM 0 HD22 LEU A1023 -5.541 -1.009 -4.383 1.00 0.00 H new ATOM 0 HD23 LEU A1023 -5.166 0.277 -3.212 1.00 0.00 H new ATOM 1646 N VAL A1024 -4.002 -2.775 0.133 1.00 0.00 N ATOM 1647 CA VAL A1024 -3.687 -3.692 1.194 1.00 0.00 C ATOM 1648 C VAL A1024 -3.937 -5.068 0.725 1.00 0.00 C ATOM 1649 O VAL A1024 -4.782 -5.282 -0.137 1.00 0.00 O ATOM 1650 CB VAL A1024 -4.539 -3.522 2.478 1.00 0.00 C ATOM 1651 CG1 VAL A1024 -4.082 -2.354 3.295 1.00 0.00 C ATOM 1652 CG2 VAL A1024 -6.022 -3.385 2.154 1.00 0.00 C ATOM 0 H VAL A1024 -5.000 -2.606 0.007 1.00 0.00 H new ATOM 0 HA VAL A1024 -2.647 -3.487 1.447 1.00 0.00 H new ATOM 0 HB VAL A1024 -4.398 -4.428 3.068 1.00 0.00 H new ATOM 0 HG11 VAL A1024 -4.704 -2.268 4.186 1.00 0.00 H new ATOM 0 HG12 VAL A1024 -3.043 -2.501 3.590 1.00 0.00 H new ATOM 0 HG13 VAL A1024 -4.166 -1.442 2.704 1.00 0.00 H new ATOM 0 HG21 VAL A1024 -6.587 -3.268 3.079 1.00 0.00 H new ATOM 0 HG22 VAL A1024 -6.177 -2.511 1.521 1.00 0.00 H new ATOM 0 HG23 VAL A1024 -6.364 -4.278 1.631 1.00 0.00 H new ATOM 1662 N ARG A1025 -3.174 -5.962 1.254 1.00 0.00 N ATOM 1663 CA ARG A1025 -3.497 -7.365 1.110 1.00 0.00 C ATOM 1664 C ARG A1025 -2.965 -8.174 2.258 1.00 0.00 C ATOM 1665 O ARG A1025 -1.772 -8.386 2.372 1.00 0.00 O ATOM 1666 CB ARG A1025 -3.034 -7.954 -0.208 1.00 0.00 C ATOM 1667 CG ARG A1025 -3.951 -9.068 -0.658 1.00 0.00 C ATOM 1668 CD ARG A1025 -5.243 -8.529 -1.303 1.00 0.00 C ATOM 1669 NE ARG A1025 -5.981 -7.540 -0.498 1.00 0.00 N ATOM 1670 CZ ARG A1025 -7.283 -7.567 -0.207 1.00 0.00 C ATOM 1671 NH1 ARG A1025 -8.029 -8.562 -0.644 1.00 0.00 N ATOM 1672 NH2 ARG A1025 -7.830 -6.601 0.515 1.00 0.00 N ATOM 0 H ARG A1025 -2.328 -5.764 1.787 1.00 0.00 H new ATOM 0 HA ARG A1025 -4.586 -7.417 1.117 1.00 0.00 H new ATOM 0 HB2 ARG A1025 -3.005 -7.174 -0.968 1.00 0.00 H new ATOM 0 HB3 ARG A1025 -2.018 -8.335 -0.103 1.00 0.00 H new ATOM 0 HG2 ARG A1025 -3.427 -9.702 -1.373 1.00 0.00 H new ATOM 0 HG3 ARG A1025 -4.207 -9.694 0.197 1.00 0.00 H new ATOM 0 HD2 ARG A1025 -4.990 -8.077 -2.262 1.00 0.00 H new ATOM 0 HD3 ARG A1025 -5.904 -9.370 -1.512 1.00 0.00 H new ATOM 0 HE ARG A1025 -5.443 -6.757 -0.126 1.00 0.00 H new ATOM 0 HH11 ARG A1025 -7.610 -9.306 -1.202 1.00 0.00 H new ATOM 0 HH12 ARG A1025 -9.025 -8.587 -0.424 1.00 0.00 H new ATOM 0 HH21 ARG A1025 -7.255 -5.829 0.853 1.00 0.00 H new ATOM 0 HH22 ARG A1025 -8.826 -6.629 0.733 1.00 0.00 H new ATOM 1686 N LYS A1026 -3.858 -8.660 3.089 1.00 0.00 N ATOM 1687 CA LYS A1026 -3.455 -9.385 4.265 1.00 0.00 C ATOM 1688 C LYS A1026 -3.219 -10.835 3.839 1.00 0.00 C ATOM 1689 O LYS A1026 -3.900 -11.357 2.946 1.00 0.00 O ATOM 1690 CB LYS A1026 -4.534 -9.204 5.348 1.00 0.00 C ATOM 1691 CG LYS A1026 -4.083 -9.407 6.794 1.00 0.00 C ATOM 1692 CD LYS A1026 -3.952 -10.865 7.177 1.00 0.00 C ATOM 1693 CE LYS A1026 -5.294 -11.595 7.102 1.00 0.00 C ATOM 1694 NZ LYS A1026 -6.339 -10.988 7.975 1.00 0.00 N ATOM 0 H LYS A1026 -4.867 -8.565 2.970 1.00 0.00 H new ATOM 0 HA LYS A1026 -2.528 -9.019 4.705 1.00 0.00 H new ATOM 0 HB2 LYS A1026 -4.946 -8.199 5.256 1.00 0.00 H new ATOM 0 HB3 LYS A1026 -5.346 -9.901 5.142 1.00 0.00 H new ATOM 0 HG2 LYS A1026 -3.124 -8.911 6.942 1.00 0.00 H new ATOM 0 HG3 LYS A1026 -4.797 -8.925 7.462 1.00 0.00 H new ATOM 0 HD2 LYS A1026 -3.236 -11.352 6.515 1.00 0.00 H new ATOM 0 HD3 LYS A1026 -3.553 -10.941 8.189 1.00 0.00 H new ATOM 0 HE2 LYS A1026 -5.645 -11.593 6.070 1.00 0.00 H new ATOM 0 HE3 LYS A1026 -5.151 -12.637 7.388 1.00 0.00 H new ATOM 0 HZ1 LYS A1026 -7.160 -11.624 8.028 1.00 0.00 H new ATOM 0 HZ2 LYS A1026 -5.952 -10.842 8.929 1.00 0.00 H new ATOM 0 HZ3 LYS A1026 -6.635 -10.073 7.578 1.00 0.00 H new ATOM 1708 N ARG A1027 -2.269 -11.485 4.465 1.00 0.00 N ATOM 1709 CA ARG A1027 -1.802 -12.781 4.040 1.00 0.00 C ATOM 1710 C ARG A1027 -1.520 -13.518 5.313 1.00 0.00 C ATOM 1711 O ARG A1027 -1.728 -12.948 6.362 1.00 0.00 O ATOM 1712 CB ARG A1027 -0.544 -12.625 3.153 1.00 0.00 C ATOM 1713 CG ARG A1027 0.684 -12.044 3.851 1.00 0.00 C ATOM 1714 CD ARG A1027 1.720 -11.520 2.858 1.00 0.00 C ATOM 1715 NE ARG A1027 2.102 -12.502 1.848 1.00 0.00 N ATOM 1716 CZ ARG A1027 2.740 -12.187 0.708 1.00 0.00 C ATOM 1717 NH1 ARG A1027 3.251 -10.973 0.532 1.00 0.00 N ATOM 1718 NH2 ARG A1027 2.871 -13.091 -0.252 1.00 0.00 N ATOM 0 H ARG A1027 -1.793 -11.125 5.293 1.00 0.00 H new ATOM 0 HA ARG A1027 -2.525 -13.323 3.430 1.00 0.00 H new ATOM 0 HB2 ARG A1027 -0.282 -13.603 2.749 1.00 0.00 H new ATOM 0 HB3 ARG A1027 -0.795 -11.987 2.306 1.00 0.00 H new ATOM 0 HG2 ARG A1027 0.375 -11.234 4.512 1.00 0.00 H new ATOM 0 HG3 ARG A1027 1.140 -12.810 4.478 1.00 0.00 H new ATOM 0 HD2 ARG A1027 1.322 -10.635 2.362 1.00 0.00 H new ATOM 0 HD3 ARG A1027 2.610 -11.206 3.404 1.00 0.00 H new ATOM 0 HE ARG A1027 1.872 -13.481 2.017 1.00 0.00 H new ATOM 0 HH11 ARG A1027 3.161 -10.270 1.266 1.00 0.00 H new ATOM 0 HH12 ARG A1027 3.733 -10.744 -0.337 1.00 0.00 H new ATOM 0 HH21 ARG A1027 2.487 -14.028 -0.126 1.00 0.00 H new ATOM 0 HH22 ARG A1027 3.356 -12.850 -1.117 1.00 0.00 H new ATOM 1732 N LYS A1028 -1.080 -14.735 5.242 1.00 0.00 N ATOM 1733 CA LYS A1028 -0.760 -15.500 6.426 1.00 0.00 C ATOM 1734 C LYS A1028 0.094 -16.658 6.060 1.00 0.00 C ATOM 1735 O LYS A1028 0.057 -17.122 4.953 1.00 0.00 O ATOM 1736 CB LYS A1028 -1.985 -15.955 7.212 1.00 0.00 C ATOM 1737 CG LYS A1028 -3.059 -16.629 6.400 1.00 0.00 C ATOM 1738 CD LYS A1028 -4.210 -17.029 7.295 1.00 0.00 C ATOM 1739 CE LYS A1028 -4.674 -15.866 8.174 1.00 0.00 C ATOM 1740 NZ LYS A1028 -5.989 -16.123 8.807 1.00 0.00 N ATOM 0 H LYS A1028 -0.929 -15.235 4.366 1.00 0.00 H new ATOM 0 HA LYS A1028 -0.214 -14.833 7.094 1.00 0.00 H new ATOM 0 HB2 LYS A1028 -1.660 -16.641 7.994 1.00 0.00 H new ATOM 0 HB3 LYS A1028 -2.419 -15.088 7.709 1.00 0.00 H new ATOM 0 HG2 LYS A1028 -3.412 -15.956 5.619 1.00 0.00 H new ATOM 0 HG3 LYS A1028 -2.652 -17.509 5.902 1.00 0.00 H new ATOM 0 HD2 LYS A1028 -5.042 -17.378 6.684 1.00 0.00 H new ATOM 0 HD3 LYS A1028 -3.907 -17.864 7.927 1.00 0.00 H new ATOM 0 HE2 LYS A1028 -3.931 -15.682 8.950 1.00 0.00 H new ATOM 0 HE3 LYS A1028 -4.736 -14.961 7.570 1.00 0.00 H new ATOM 0 HZ1 LYS A1028 -6.100 -15.509 9.639 1.00 0.00 H new ATOM 0 HZ2 LYS A1028 -6.748 -15.922 8.125 1.00 0.00 H new ATOM 0 HZ3 LYS A1028 -6.044 -17.119 9.102 1.00 0.00 H new ATOM 1754 N LYS A1029 0.835 -17.118 7.009 1.00 0.00 N ATOM 1755 CA LYS A1029 1.835 -18.148 6.777 1.00 0.00 C ATOM 1756 C LYS A1029 1.227 -19.517 6.996 1.00 0.00 C ATOM 1757 O LYS A1029 1.833 -20.553 6.728 1.00 0.00 O ATOM 1758 CB LYS A1029 2.983 -17.942 7.756 1.00 0.00 C ATOM 1759 CG LYS A1029 4.211 -18.776 7.464 1.00 0.00 C ATOM 1760 CD LYS A1029 5.294 -18.557 8.496 1.00 0.00 C ATOM 1761 CE LYS A1029 5.520 -17.083 8.735 1.00 0.00 C ATOM 1762 NZ LYS A1029 6.587 -16.843 9.731 1.00 0.00 N ATOM 0 H LYS A1029 0.778 -16.801 7.977 1.00 0.00 H new ATOM 0 HA LYS A1029 2.198 -18.082 5.751 1.00 0.00 H new ATOM 0 HB2 LYS A1029 3.264 -16.889 7.751 1.00 0.00 H new ATOM 0 HB3 LYS A1029 2.633 -18.173 8.762 1.00 0.00 H new ATOM 0 HG2 LYS A1029 3.938 -19.831 7.442 1.00 0.00 H new ATOM 0 HG3 LYS A1029 4.595 -18.525 6.475 1.00 0.00 H new ATOM 0 HD2 LYS A1029 5.015 -19.043 9.431 1.00 0.00 H new ATOM 0 HD3 LYS A1029 6.221 -19.022 8.160 1.00 0.00 H new ATOM 0 HE2 LYS A1029 5.785 -16.599 7.795 1.00 0.00 H new ATOM 0 HE3 LYS A1029 4.593 -16.625 9.079 1.00 0.00 H new ATOM 0 HZ1 LYS A1029 6.711 -15.819 9.867 1.00 0.00 H new ATOM 0 HZ2 LYS A1029 6.323 -17.283 10.636 1.00 0.00 H new ATOM 0 HZ3 LYS A1029 7.478 -17.258 9.392 1.00 0.00 H new ATOM 1776 N ASP A1030 0.050 -19.474 7.588 1.00 0.00 N ATOM 1777 CA ASP A1030 -0.709 -20.659 8.011 1.00 0.00 C ATOM 1778 C ASP A1030 0.134 -21.449 9.027 1.00 0.00 C ATOM 1779 O ASP A1030 -0.101 -22.621 9.309 1.00 0.00 O ATOM 1780 CB ASP A1030 -1.113 -21.521 6.795 1.00 0.00 C ATOM 1781 CG ASP A1030 -2.115 -22.610 7.139 1.00 0.00 C ATOM 1782 OD1 ASP A1030 -3.226 -22.281 7.610 1.00 0.00 O ATOM 1783 OD2 ASP A1030 -1.820 -23.812 6.957 1.00 0.00 O ATOM 0 H ASP A1030 -0.427 -18.597 7.798 1.00 0.00 H new ATOM 0 HA ASP A1030 -1.638 -20.352 8.491 1.00 0.00 H new ATOM 0 HB2 ASP A1030 -1.537 -20.876 6.026 1.00 0.00 H new ATOM 0 HB3 ASP A1030 -0.220 -21.979 6.370 1.00 0.00 H new ATOM 1788 N LEU A1031 1.108 -20.730 9.595 1.00 0.00 N ATOM 1789 CA LEU A1031 2.083 -21.197 10.579 1.00 0.00 C ATOM 1790 C LEU A1031 3.021 -22.314 10.092 1.00 0.00 C ATOM 1791 O LEU A1031 4.171 -22.362 10.519 1.00 0.00 O ATOM 1792 CB LEU A1031 1.395 -21.631 11.868 1.00 0.00 C ATOM 1793 CG LEU A1031 2.331 -21.977 13.031 1.00 0.00 C ATOM 1794 CD1 LEU A1031 3.124 -20.754 13.466 1.00 0.00 C ATOM 1795 CD2 LEU A1031 1.547 -22.550 14.200 1.00 0.00 C ATOM 0 H LEU A1031 1.242 -19.746 9.364 1.00 0.00 H new ATOM 0 HA LEU A1031 2.720 -20.331 10.760 1.00 0.00 H new ATOM 0 HB2 LEU A1031 0.725 -20.833 12.188 1.00 0.00 H new ATOM 0 HB3 LEU A1031 0.774 -22.501 11.653 1.00 0.00 H new ATOM 0 HG LEU A1031 3.034 -22.735 12.687 1.00 0.00 H new ATOM 0 HD11 LEU A1031 3.782 -21.022 14.293 1.00 0.00 H new ATOM 0 HD12 LEU A1031 3.721 -20.391 12.630 1.00 0.00 H new ATOM 0 HD13 LEU A1031 2.438 -19.971 13.788 1.00 0.00 H new ATOM 0 HD21 LEU A1031 2.231 -22.789 15.015 1.00 0.00 H new ATOM 0 HD22 LEU A1031 0.817 -21.817 14.542 1.00 0.00 H new ATOM 0 HD23 LEU A1031 1.031 -23.456 13.883 1.00 0.00 H new ATOM 1807 N THR A1032 2.598 -23.165 9.172 1.00 0.00 N ATOM 1808 CA THR A1032 3.377 -24.343 8.876 1.00 0.00 C ATOM 1809 C THR A1032 3.454 -24.554 7.375 1.00 0.00 C ATOM 1810 O THR A1032 3.778 -25.641 6.896 1.00 0.00 O ATOM 1811 CB THR A1032 2.760 -25.575 9.604 1.00 0.00 C ATOM 1812 OG1 THR A1032 3.581 -26.747 9.462 1.00 0.00 O ATOM 1813 CG2 THR A1032 1.349 -25.873 9.104 1.00 0.00 C ATOM 0 H THR A1032 1.739 -23.062 8.631 1.00 0.00 H new ATOM 0 HA THR A1032 4.396 -24.213 9.241 1.00 0.00 H new ATOM 0 HB THR A1032 2.710 -25.315 10.661 1.00 0.00 H new ATOM 0 HG1 THR A1032 3.935 -26.789 8.549 1.00 0.00 H new ATOM 0 HG21 THR A1032 0.950 -26.738 9.634 1.00 0.00 H new ATOM 0 HG22 THR A1032 0.709 -25.010 9.286 1.00 0.00 H new ATOM 0 HG23 THR A1032 1.379 -26.084 8.035 1.00 0.00 H new ATOM 1821 N GLN A1033 3.196 -23.492 6.630 1.00 0.00 N ATOM 1822 CA GLN A1033 3.222 -23.592 5.181 1.00 0.00 C ATOM 1823 C GLN A1033 4.659 -23.637 4.673 1.00 0.00 C ATOM 1824 O GLN A1033 4.937 -24.093 3.559 1.00 0.00 O ATOM 1825 CB GLN A1033 2.474 -22.432 4.540 1.00 0.00 C ATOM 1826 CG GLN A1033 2.116 -22.733 3.114 1.00 0.00 C ATOM 1827 CD GLN A1033 1.324 -21.644 2.435 1.00 0.00 C ATOM 1828 OE1 GLN A1033 0.100 -21.618 2.517 1.00 0.00 O ATOM 1829 NE2 GLN A1033 1.998 -20.793 1.694 1.00 0.00 N ATOM 0 H GLN A1033 2.970 -22.567 6.996 1.00 0.00 H new ATOM 0 HA GLN A1033 2.721 -24.519 4.900 1.00 0.00 H new ATOM 0 HB2 GLN A1033 1.567 -22.223 5.108 1.00 0.00 H new ATOM 0 HB3 GLN A1033 3.090 -21.533 4.580 1.00 0.00 H new ATOM 0 HG2 GLN A1033 3.032 -22.907 2.550 1.00 0.00 H new ATOM 0 HG3 GLN A1033 1.542 -23.659 3.082 1.00 0.00 H new ATOM 0 HE21 GLN A1033 3.016 -20.848 1.652 1.00 0.00 H new ATOM 0 HE22 GLN A1033 1.503 -20.078 1.161 1.00 0.00 H new